1,2-bis(ethenyl)-3-octadecylbenzene

C28H46 — CID 18628258

IUPAC1,2-bis(ethenyl)-3-octadecylbenzene
SMILESC=Cc1cccc(CCCCCCCCCCCCCCCCCC)c1C=C
InChIInChI=1S/C28H46/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-25-22-24-26(5-2)28(27)6-3/h5-6,22,24-25H,2-4,7-21,23H2,1H3
InChIKeyQLQCQOPMAGCYGL-UHFFFAOYSA-N
MW382.68 g/mol
LogP9.78
Rot. Bonds19

About 1,2-bis(ethenyl)-3-octadecylbenzene

1,2-bis(ethenyl)-3-octadecylbenzene (PubChem CID 18628258) has the molecular formula C28H46 and a molecular weight of 382.68 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-3-octadecylbenzene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-3-octadecylbenzene
PubChem CID18628258
Molecular FormulaC28H46
Molecular Weight382.68 g/mol
Exact Mass382.36
IUPAC Name1,2-bis(ethenyl)-3-octadecylbenzene
SMILESC=Cc1cccc(CCCCCCCCCCCCCCCCCC)c1C=C
InChIInChI=1S/C28H46/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-25-22-24-26(5-2)28(27)6-3/h5-6,22,24-25H,2-4,7-21,23H2,1H3
InChIKeyQLQCQOPMAGCYGL-UHFFFAOYSA-N
XLogP9.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 59.78
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

1,3-didecyl-2-ethenylbenzene
CID 10572118
1-ethenyl-2-pentylbenzene
CID 22171756
1-butyl-2-chloro-3-ethenylbenzene
CID 174299293
1-butyl-2-ethenyl-3-methylbenzene
CID 154145018
CID 175541181
CID 175541181
1-ethenyl-2-[5-(2-ethenylphenyl)pentyl]benzene
CID 22572053
3-butyl-2-ethenylphenol
CID 23312031
1,2-bis(ethenyl)benzene;hexylbenzene
CID 175593213
(2-butyl-6-ethenylphenyl)methanamine
CID 70520370
1-dodecyl-2-hexylbenzene
CID 19371073
1,2-di(undecyl)benzene
CID 3019479
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-3-octadecylbenzene?
The IUPAC name of 1,2-bis(ethenyl)-3-octadecylbenzene (CID 18628258) is 1,2-bis(ethenyl)-3-octadecylbenzene.
What is the SMILES notation for 1,2-bis(ethenyl)-3-octadecylbenzene?
The canonical SMILES for 1,2-bis(ethenyl)-3-octadecylbenzene is C=Cc1cccc(CCCCCCCCCCCCCCCCCC)c1C=C.
What is the InChIKey of 1,2-bis(ethenyl)-3-octadecylbenzene?
The InChIKey is QLQCQOPMAGCYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-27-25-22-24-26(5-2)28(27)6-3/h5-6,22,24-25H,2-4,7-21,23H2,1H3.
What are the key properties of 1,2-bis(ethenyl)-3-octadecylbenzene?
1,2-bis(ethenyl)-3-octadecylbenzene has a molecular weight of 382.68 g/mol, XLogP of 9.78, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-3-octadecylbenzene is sourced from PubChem (CID 18628258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).