Encyclopedia / Syntheses Material Intermediates / Pharmaceutical Intermediates

1-METHYL-1-CYCLOOCTENE

CAS：933-11-9
MW:124.22334
MF：C9H16

Email Tweet Share

Names and ldentifier
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 1-METHYL-1-CYCLOOCTENE

1.2 Synonyms: 1-METHYL-1-CYCLOOCTENE; 1-METHYLCYCLOOCTENE; Cyclooctene, 1-methyl; Cyclooctene, 1-methyl-;

1.3 CAS No.: 933-11-9

1.4 CID: 5352545

1.5 Molecular Formula: C9H16

1.6 Inchi: InChI=1S/C9H16/c1-9-7-5-3-2-4-6-8-9/h7H,2-6,8H2,1H3/b9-7-

1.7 InChkey: WFLPGXDWMZEHGP-CLFYSBASSA-N

1.8 Canonical Smiles: CC1=CCCCCCC1

1.9 Isomers Smiles: C/C/1=C/CCCCCC1

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

933-11-9Total: 10 Synthesis Route

78-79-5 51 Suppliers

933-11-9 4 Suppliers

502-49-8 108 Suppliers

933-11-9 4 Suppliers

View all

4. Precursor and Product

precursor:

4734-81-0

3618-18-6

104-15-4

57559-34-9

16538-83-3

917-64-6

502-49-8

61815-42-7

139313-68-1

15840-64-9

64-19-7

product:

59123-41-0

1502-38-1

15840-64-9

505-48-6

66344-69-2

5. Computed Properties

Molecular Weight：124.22334g/mol
Molecular Formula：C₉H₁₆
Compound Is Canonicalized：True
Exact Mass：3.5
XLogP3-AA：124.125200510
Monoisotopic Mass：124.125200510
Complexity：101
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：9
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQAAAAAAAAGAAAAAAADACAAAACAAAAAACAAiBCAAAAAAAgAAAACAAAAAgAAAIAAQAAAAAAgAAIAAMAgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==