1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene

C45H72 — CID 159624345

IUPAC1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene
SMILESCc1c(C)c(C)c(CC(C)C)c(C)c1C.Cc1c(C)c(C)c(CC(C)C)c(C)c1C.Cc1c(C)c(C)c(CC(C)C)c(C)c1C
InChIInChI=1S/3C15H24/c3*1-9(2)8-15-13(6)11(4)10(3)12(5)14(15)7/h3*9H,8H2,1-7H3
InChIKeyMOHHZWGXTNAXTB-UHFFFAOYSA-N
MW613.07 g/mol
LogP13.28
Rot. Bonds6

About 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene

1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene (PubChem CID 159624345) has the molecular formula C45H72 and a molecular weight of 613.07 g/mol. Its IUPAC name is 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene
PubChem CID159624345
Molecular FormulaC45H72
Molecular Weight613.07 g/mol
Exact Mass612.56
IUPAC Name1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene
SMILESCc1c(C)c(C)c(CC(C)C)c(C)c1C.Cc1c(C)c(C)c(CC(C)C)c(C)c1C.Cc1c(C)c(C)c(CC(C)C)c(C)c1C
InChIInChI=1S/3C15H24/c3*1-9(2)8-15-13(6)11(4)10(3)12(5)14(15)7/h3*9H,8H2,1-7H3
InChIKeyMOHHZWGXTNAXTB-UHFFFAOYSA-N
XLogP13.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.07
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene?
The IUPAC name of 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene (CID 159624345) is 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene is Cc1c(C)c(C)c(CC(C)C)c(C)c1C.Cc1c(C)c(C)c(CC(C)C)c(C)c1C.Cc1c(C)c(C)c(CC(C)C)c(C)c1C.
What is the InChIKey of 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene?
The InChIKey is MOHHZWGXTNAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H24/c3*1-9(2)8-15-13(6)11(4)10(3)12(5)14(15)7/h3*9H,8H2,1-7H3.
What are the key properties of 1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene?
1,2,3,4,5-pentamethyl-6-(2-methylpropyl)benzene has a molecular weight of 613.07 g/mol, XLogP of 13.28, 6 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-pentamethyl-6-(2-methylpropyl)benzene is sourced from PubChem (CID 159624345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).