1,2,3,4,5,6-hexapropylbenzene

C24H42 — CID 627339

IUPAC1,2,3,4,5,6-hexapropylbenzene
SMILESCCCc1c(CCC)c(CCC)c(CCC)c(CCC)c1CCC
InChIInChI=1S/C24H42/c1-7-13-19-20(14-8-2)22(16-10-4)24(18-12-6)23(17-11-5)21(19)15-9-3/h7-18H2,1-6H3
InChIKeyVKYKQNLHDHRHNN-UHFFFAOYSA-N
MW330.60 g/mol
LogP7.40
Rot. Bonds12

About 1,2,3,4,5,6-hexapropylbenzene

1,2,3,4,5,6-hexapropylbenzene (PubChem CID 627339) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexapropylbenzene.

Molecular Properties

Compound Name1,2,3,4,5,6-hexapropylbenzene
PubChem CID627339
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name1,2,3,4,5,6-hexapropylbenzene
SMILESCCCc1c(CCC)c(CCC)c(CCC)c(CCC)c1CCC
InChIInChI=1S/C24H42/c1-7-13-19-20(14-8-2)22(16-10-4)24(18-12-6)23(17-11-5)21(19)15-9-3/h7-18H2,1-6H3
InChIKeyVKYKQNLHDHRHNN-UHFFFAOYSA-N
XLogP7.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexapropylbenzene?
The IUPAC name of 1,2,3,4,5,6-hexapropylbenzene (CID 627339) is 1,2,3,4,5,6-hexapropylbenzene.
What is the SMILES notation for 1,2,3,4,5,6-hexapropylbenzene?
The canonical SMILES for 1,2,3,4,5,6-hexapropylbenzene is CCCc1c(CCC)c(CCC)c(CCC)c(CCC)c1CCC.
What is the InChIKey of 1,2,3,4,5,6-hexapropylbenzene?
The InChIKey is VKYKQNLHDHRHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42/c1-7-13-19-20(14-8-2)22(16-10-4)24(18-12-6)23(17-11-5)21(19)15-9-3/h7-18H2,1-6H3.
What are the key properties of 1,2,3,4,5,6-hexapropylbenzene?
1,2,3,4,5,6-hexapropylbenzene has a molecular weight of 330.60 g/mol, XLogP of 7.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexapropylbenzene is sourced from PubChem (CID 627339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).