3-Octene

HCID 32935
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Basic information

CAS
592-98-3
Standard SMILES
CCC=CCCCC
InChIKey
YCTDZYMMFQCTEO-UHFFFAOYSA-N
Molecular formula
C8H16
Average molar mass
112.21 g/mol
Monoisotopic mass
112.12520051

Names & identifiers

Preferred name
3-Octene
IUPAC
oct-3-ene

Names & synonyms

3-OcteneDTXSID40862260CHEBI:167526RefChem:1068379DTXCID60811053592-98-3Oct-3-ene14850-22-7SCHEMBL55770SCHEMBL100328SCHEMBL100901SCHEMBL365730
Show more names
SCHEMBL525965SCHEMBL782616SCHEMBL957881SCHEMBL2120663SCHEMBL2317313SCHEMBL2319599SCHEMBL2892708SCHEMBL3899478

Database identifiers

CAS
592-98-3
PubChem CID
32935
DTXSID
DTXSID40862260
EC Number
209-779-3

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
4
Heavy atoms
8

Experimental & physicochemical properties

Physical DescriptionClear, colorless oily liquid having a hydrocarbon odor.
Kovats Retention Index · 3 items

800；798

807

842；840；840；841；829.5

Related reactions

8 records
New reaction record

Compound notes

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