1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene

C33H50 — CID 22646096

IUPAC1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
SMILESC=Cc1ccc(CCCCCCCC)cc1.C=Cc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C17H26.C16H24/c1-3-5-6-7-8-9-10-11-17-14-12-16(4-2)13-15-17;1-3-5-6-7-8-9-10-16-13-11-15(4-2)12-14-16/h4,12-15H,2-3,5-11H2,1H3;4,11-14H,2-3,5-10H2,1H3
InChIKeySWEAVOWYQGIKEY-UHFFFAOYSA-N
MW446.76 g/mol
LogP10.86
Rot. Bonds17

About 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene

1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene (PubChem CID 22646096) has the molecular formula C33H50 and a molecular weight of 446.76 g/mol. Its IUPAC name is 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene.

Molecular Properties

Compound Name1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
PubChem CID22646096
Molecular FormulaC33H50
Molecular Weight446.76 g/mol
Exact Mass446.39
IUPAC Name1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
SMILESC=Cc1ccc(CCCCCCCC)cc1.C=Cc1ccc(CCCCCCCCC)cc1
InChIInChI=1S/C17H26.C16H24/c1-3-5-6-7-8-9-10-11-17-14-12-16(4-2)13-15-17;1-3-5-6-7-8-9-10-16-13-11-15(4-2)12-14-16/h4,12-15H,2-3,5-11H2,1H3;4,11-14H,2-3,5-10H2,1H3
InChIKeySWEAVOWYQGIKEY-UHFFFAOYSA-N
XLogP10.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.76
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-4-hexylbenzene
CID 21225742
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
CID 157182704
tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
CID 160536967
1-(4-ethenylphenyl)-N-(4-nonylphenyl)methanimine
CID 143730274
1-ethenyl-4-pentylbenzene;1,2,3,5-tetrafluorobenzene
CID 90876868
1-ethenyl-4-(5-phenylpentyl)benzene
CID 151483185
1-butyl-4-nonylbenzene
CID 59545302
1-but-3-enyl-4-hexylbenzene
CID 91077567
1-hexyl-4-prop-2-enylbenzene
CID 91099375
1-decyl-4-oct-7-enylbenzene
CID 91553239
1-decyl-4-hex-5-enylbenzene
CID 91529966
1-decyl-4-[4-(4-octylphenyl)buta-1,3-dienyl]benzene
CID 173328821

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene?
The IUPAC name of 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene (CID 22646096) is 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene.
What is the SMILES notation for 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene?
The canonical SMILES for 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene is C=Cc1ccc(CCCCCCCC)cc1.C=Cc1ccc(CCCCCCCCC)cc1.
What is the InChIKey of 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene?
The InChIKey is SWEAVOWYQGIKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.C16H24/c1-3-5-6-7-8-9-10-11-17-14-12-16(4-2)13-15-17;1-3-5-6-7-8-9-10-16-13-11-15(4-2)12-14-16/h4,12-15H,2-3,5-11H2,1H3;4,11-14H,2-3,5-10H2,1H3.
What are the key properties of 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene?
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene has a molecular weight of 446.76 g/mol, XLogP of 10.86, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene is sourced from PubChem (CID 22646096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).