1-decyl-4-hex-5-enylbenzene

C22H36 — CID 91529966

IUPAC1-decyl-4-hex-5-enylbenzene
SMILESC=CCCCCc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C22H36/c1-3-5-7-9-10-11-12-14-16-22-19-17-21(18-20-22)15-13-8-6-4-2/h4,17-20H,2-3,5-16H2,1H3
InChIKeyYSBNLWIIXSAXPJ-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.27
Rot. Bonds14

About 1-decyl-4-hex-5-enylbenzene

1-decyl-4-hex-5-enylbenzene (PubChem CID 91529966) has the molecular formula C22H36 and a molecular weight of 300.53 g/mol. Its IUPAC name is 1-decyl-4-hex-5-enylbenzene.

Molecular Properties

Compound Name1-decyl-4-hex-5-enylbenzene
PubChem CID91529966
Molecular FormulaC22H36
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name1-decyl-4-hex-5-enylbenzene
SMILESC=CCCCCc1ccc(CCCCCCCCCC)cc1
InChIInChI=1S/C22H36/c1-3-5-7-9-10-11-12-14-16-22-19-17-21(18-20-22)15-13-8-6-4-2/h4,17-20H,2-3,5-16H2,1H3
InChIKeyYSBNLWIIXSAXPJ-UHFFFAOYSA-N
XLogP7.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-decyl-4-oct-7-enylbenzene
CID 91553239
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-hex-5-enyl-4-[2-[4-(4-pentylphenyl)phenyl]ethynyl]benzene
CID 139764887
1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-pentyl-4-prop-2-enylbenzene
CID 24721930
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-nonylbenzene
CID 59545302
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-hex-5-enyl-4-(4-methylphenyl)benzene
CID 59812350

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4-hex-5-enylbenzene?
The IUPAC name of 1-decyl-4-hex-5-enylbenzene (CID 91529966) is 1-decyl-4-hex-5-enylbenzene.
What is the SMILES notation for 1-decyl-4-hex-5-enylbenzene?
The canonical SMILES for 1-decyl-4-hex-5-enylbenzene is C=CCCCCc1ccc(CCCCCCCCCC)cc1.
What is the InChIKey of 1-decyl-4-hex-5-enylbenzene?
The InChIKey is YSBNLWIIXSAXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36/c1-3-5-7-9-10-11-12-14-16-22-19-17-21(18-20-22)15-13-8-6-4-2/h4,17-20H,2-3,5-16H2,1H3.
What are the key properties of 1-decyl-4-hex-5-enylbenzene?
1-decyl-4-hex-5-enylbenzene has a molecular weight of 300.53 g/mol, XLogP of 7.27, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4-hex-5-enylbenzene is sourced from PubChem (CID 91529966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).