1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane

C19H36 — CID 123254036

IUPAC1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane
SMILESCCC(C)CCC1CCC(C(C)C)(C2CCC2)C1C
InChIInChI=1S/C19H36/c1-6-15(4)10-11-17-12-13-19(14(2)3,16(17)5)18-8-7-9-18/h14-18H,6-13H2,1-5H3
InChIKeyQWHSLIAWZZHXRG-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.30
Rot. Bonds6

About 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane

1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane (PubChem CID 123254036) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane.

Molecular Properties

Compound Name1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane
PubChem CID123254036
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane
SMILESCCC(C)CCC1CCC(C(C)C)(C2CCC2)C1C
InChIInChI=1S/C19H36/c1-6-15(4)10-11-17-12-13-19(14(2)3,16(17)5)18-8-7-9-18/h14-18H,6-13H2,1-5H3
InChIKeyQWHSLIAWZZHXRG-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane 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-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane?
The IUPAC name of 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane (CID 123254036) is 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane.
What is the SMILES notation for 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane?
The canonical SMILES for 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane is CCC(C)CCC1CCC(C(C)C)(C2CCC2)C1C.
What is the InChIKey of 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane?
The InChIKey is QWHSLIAWZZHXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-6-15(4)10-11-17-12-13-19(14(2)3,16(17)5)18-8-7-9-18/h14-18H,6-13H2,1-5H3.
What are the key properties of 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane?
1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane has a molecular weight of 264.50 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methyl-3-(3-methylpentyl)-1-propan-2-ylcyclopentane is sourced from PubChem (CID 123254036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).