5-ethenyl-1,2,3-tripentylbenzene

C23H38 — CID 123244940

IUPAC5-ethenyl-1,2,3-tripentylbenzene
SMILESC=Cc1cc(CCCCC)c(CCCCC)c(CCCCC)c1
InChIInChI=1S/C23H38/c1-5-9-12-15-21-18-20(8-4)19-22(16-13-10-6-2)23(21)17-14-11-7-3/h8,18-19H,4-7,9-17H2,1-3H3
InChIKeyPSIKVONIMDHWOT-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.53
Rot. Bonds13

About 5-ethenyl-1,2,3-tripentylbenzene

5-ethenyl-1,2,3-tripentylbenzene (PubChem CID 123244940) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 5-ethenyl-1,2,3-tripentylbenzene.

Molecular Properties

Compound Name5-ethenyl-1,2,3-tripentylbenzene
PubChem CID123244940
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name5-ethenyl-1,2,3-tripentylbenzene
SMILESC=Cc1cc(CCCCC)c(CCCCC)c(CCCCC)c1
InChIInChI=1S/C23H38/c1-5-9-12-15-21-18-20(8-4)19-22(16-13-10-6-2)23(21)17-14-11-7-3/h8,18-19H,4-7,9-17H2,1-3H3
InChIKeyPSIKVONIMDHWOT-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.53
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

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1,2,3-tripentylbenzene?
The IUPAC name of 5-ethenyl-1,2,3-tripentylbenzene (CID 123244940) is 5-ethenyl-1,2,3-tripentylbenzene.
What is the SMILES notation for 5-ethenyl-1,2,3-tripentylbenzene?
The canonical SMILES for 5-ethenyl-1,2,3-tripentylbenzene is C=Cc1cc(CCCCC)c(CCCCC)c(CCCCC)c1.
What is the InChIKey of 5-ethenyl-1,2,3-tripentylbenzene?
The InChIKey is PSIKVONIMDHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-5-9-12-15-21-18-20(8-4)19-22(16-13-10-6-2)23(21)17-14-11-7-3/h8,18-19H,4-7,9-17H2,1-3H3.
What are the key properties of 5-ethenyl-1,2,3-tripentylbenzene?
5-ethenyl-1,2,3-tripentylbenzene has a molecular weight of 314.56 g/mol, XLogP of 7.53, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1,2,3-tripentylbenzene is sourced from PubChem (CID 123244940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).