3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one

C19H34O — CID 131991055

IUPAC3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one
SMILESCC(C)(CC1CCC(C(C)(C)C)C1)C(=O)C1CCCC1
InChIInChI=1S/C19H34O/c1-18(2,3)16-11-10-14(12-16)13-19(4,5)17(20)15-8-6-7-9-15/h14-16H,6-13H2,1-5H3
InChIKeyYOMSUZOROHQSCV-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.62
Rot. Bonds4

About 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one

3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one (PubChem CID 131991055) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one
PubChem CID131991055
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one
SMILESCC(C)(CC1CCC(C(C)(C)C)C1)C(=O)C1CCCC1
InChIInChI=1S/C19H34O/c1-18(2,3)16-11-10-14(12-16)13-19(4,5)17(20)15-8-6-7-9-15/h14-16H,6-13H2,1-5H3
InChIKeyYOMSUZOROHQSCV-UHFFFAOYSA-N
XLogP5.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one 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 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one?
The IUPAC name of 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one (CID 131991055) is 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one is CC(C)(CC1CCC(C(C)(C)C)C1)C(=O)C1CCCC1.
What is the InChIKey of 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one?
The InChIKey is YOMSUZOROHQSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-18(2,3)16-11-10-14(12-16)13-19(4,5)17(20)15-8-6-7-9-15/h14-16H,6-13H2,1-5H3.
What are the key properties of 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one?
3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one has a molecular weight of 278.48 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylcyclopentyl)-1-cyclopentyl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 131991055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).