Encyclopedia

4-Octene

CAS：592-99-4
MW:112.21264
MF：C8H16

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Names and ldentifier
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: 4-Octene

1.2 Synonyms: oct-4-ene;

1.3 CAS No.: 592-99-4

1.4 CID: 5357253

1.5 EINECS: 209-780-9

1.6 Molecular Formula: C8H16

1.7 Inchi: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h7-8H,3-6H2,1-2H3/b8-7+

1.8 InChkey: IRUCBBFNLDIMIK-BQYQJAHWSA-N

1.9 Canonical Smiles: CCCC=CCCC

1.10 Isomers Smiles: CCC/C=C/CCC

2. Synthesis Route

592-99-4Total: 22 Synthesis Route

111-66-0 32 Suppliers

592-99-4

14850-22-7 9 Suppliers

111-67-1 6 Suppliers

111-66-0 32 Suppliers

19398-37-9

592-99-4

14850-22-7 9 Suppliers

View all

3. Precursor and Product

precursor:

592-41-6

111-66-0

111-65-9

111-87-5

product:

5455-24-3

7642-15-1

107-92-6

592-41-6

109-67-1

187737-37-7

106-99-0

1439-06-1

74-84-0

54509-73-8

124718-83-8

4. Computed Properties

Molecular Weight：112.21264g/mol
Molecular Formula：C₈H₁₆
Compound Is Canonicalized：True
Exact Mass：3.6
XLogP3-AA：112.125200510
Monoisotopic Mass：112.125200510
Complexity：45.1
Rotatable Bond Count：4
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：8
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：AAADceBwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAAAAAAACACAAAACAAAAAACAACBCAAAAAAAgAAAICAAAAAgAAAAAAQAAAAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation

1. Names and Identifiers

1.1 Name
1.2 Synonyms
1.3 CAS No.
1.4 EINECS(EC#)
1.5 Molecular Formula
1.6 Inchi
1.7 InChkey
1.8 Canonical Smiles
1.9 Isomers Smiles

2. Synthesis Route

3. Precursor and Product

4. Computational chemical data

5. Realated Product Infomation

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