2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene

C32H48 — CID 57087984

IUPAC2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene
SMILESCCCCCc1ccc(-c2ccc(CCC3(CCCCC)CCCCC3)c(C)c2)cc1C
InChIInChI=1S/C32H48/c1-5-7-10-14-28-15-17-30(24-26(28)3)31-18-16-29(27(4)25-31)19-23-32(20-11-8-6-2)21-12-9-13-22-32/h15-18,24-25H,5-14,19-23H2,1-4H3
InChIKeyGCEUXECDZYTEJK-UHFFFAOYSA-N
MW432.74 g/mol
LogP10.17
Rot. Bonds12

About 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene

2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene (PubChem CID 57087984) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene.

Molecular Properties

Compound Name2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene
PubChem CID57087984
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Name2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene
SMILESCCCCCc1ccc(-c2ccc(CCC3(CCCCC)CCCCC3)c(C)c2)cc1C
InChIInChI=1S/C32H48/c1-5-7-10-14-28-15-17-30(24-26(28)3)31-18-16-29(27(4)25-31)19-23-32(20-11-8-6-2)21-12-9-13-22-32/h15-18,24-25H,5-14,19-23H2,1-4H3
InChIKeyGCEUXECDZYTEJK-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 510.17
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene?
The IUPAC name of 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene (CID 57087984) is 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene.
What is the SMILES notation for 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene?
The canonical SMILES for 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene is CCCCCc1ccc(-c2ccc(CCC3(CCCCC)CCCCC3)c(C)c2)cc1C.
What is the InChIKey of 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene?
The InChIKey is GCEUXECDZYTEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48/c1-5-7-10-14-28-15-17-30(24-26(28)3)31-18-16-29(27(4)25-31)19-23-32(20-11-8-6-2)21-12-9-13-22-32/h15-18,24-25H,5-14,19-23H2,1-4H3.
What are the key properties of 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene?
2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene has a molecular weight of 432.74 g/mol, XLogP of 10.17, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-methyl-4-[2-(1-pentylcyclohexyl)ethyl]phenyl]-1-pentylbenzene is sourced from PubChem (CID 57087984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).