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2H-Pyran, 2-(decyloxy)tetrahydro-
CAS:
110477-35-5
MW:
242.398
MF:
C15H30O2
 
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Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation
1. Names and Identifiers
1.1 Name
2H-Pyran, 2-(decyloxy)tetrahydro-
1.2 Synonyms
2-(DECYLOXY)OXANE; 2-(Decyloxy)tetrahydro-2H-pyran; Decyl tetrahydro-2H-pyran-2-yl ether; n-Decanol tetrahydropyran ether;
1.3 CAS No.
110477-35-5
1.4 CID
559027
1.5 Molecular Formula
C15H30O2
1.6 Inchi
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-10-13-16-15-12-9-11-14-17-15/h15H,2-14H2,1H3
1.7 InChkey
YUNZZPCZYOTBDM-UHFFFAOYSA-N
1.8 Canonical Smiles
CCCCCCCCCCOC1CCCCO1
1.9 Isomers Smiles
CCCCCCCCCCOC1OCCCC1
2. MSDS
2.
Hazard identification
2.1
Classification of the substance or mixture
no data available
2.2
GHS label elements, including precautionary statements
Pictogram(s)
no data available
Signal word
no data available
Hazard statement(s)
no data available
Precautionary statement(s)
Prevention
no data available
Response
no data available
Storage
no data available
Disposal
no data available
2.3
Other hazards which do not result in classification
no data available
View all
3. Synthesis Route
110477-35-5
Total: 3 Synthesis Route
67136-13-4
110477-35-5
110-87-2
200 Suppliers
112-30-1
167 Suppliers
110477-35-5
4. Precursor and Product
precursor:
112-30-1
69161-61-1
110-87-2
67136-13-4
product:
112-30-1
143741-87-1
112-17-4
5. Computed Properties
Molecular Weight:
242.398 g/mol
Molecular Formula:
C
15
H
30
O
2
Compound Is Canonicalized:
True
Exact Mass:
5.4
XLogP3-AA:
242.224580195
Monoisotopic Mass:
242.224580195
Complexity:
159
Rotatable Bond Count:
10
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Topological Polar Surface Area:
18.5
Heavy Atom Count::
17
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Isotope Atom Count:
0
Covalently-Bonded Unit Count:
1
CACTVS Substructure Key Fingerprint:
AAADceBwMAAAAAAAAAAAAAAAAAAAAAAAAAAkAAAAAAAAAAAAAAAAGgAAAAAACACwgAMCCAAABAAAAAAAAAAAAAAAAAAAAAAAAAAQAAIAAAAiAAAEAAAEAAGA4KgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Realated Product Infomation
3-DECYLOXY PROPYLAMINE
cas:7617-78-9
4-DECYLOXY-BENZONITRILE
cas:29147-90-8
2-(Decyloxy)ethanol
cas:23238-40-6
TETRAHYDRO-PYRAN-3-CARBALDEHYDE
cas:77342-93-9
3-BROMO-TETRAHYDRO-PYRAN
cas:13047-01-3
Tetrahydro-pyran-4-thiol
cas:203246-71-3
1. Names and Identifiers
1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 Molecular Formula
1.5 Inchi
1.6 InChkey
1.7 Canonical Smiles
1.8 Isomers Smiles
2.
Msds
3.
Synthesis Route
4.
Precursor and Product
5.
Computational chemical data
6.
Realated Product Infomation
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