4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one

C19H34O — CID 135142040

IUPAC4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1CC(CC(C)(C)C2CCC(C)(C)C2)CC1=O
InChIInChI=1S/C19H34O/c1-13(2)16-9-14(10-17(16)20)11-19(5,6)15-7-8-18(3,4)12-15/h13-16H,7-12H2,1-6H3
InChIKeyXJPKVCRMOHBJLP-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.48
Rot. Bonds4

About 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one

4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one (PubChem CID 135142040) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one
PubChem CID135142040
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one
SMILESCC(C)C1CC(CC(C)(C)C2CCC(C)(C)C2)CC1=O
InChIInChI=1S/C19H34O/c1-13(2)16-9-14(10-17(16)20)11-19(5,6)15-7-8-18(3,4)12-15/h13-16H,7-12H2,1-6H3
InChIKeyXJPKVCRMOHBJLP-UHFFFAOYSA-N
XLogP5.48
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 ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one?
The IUPAC name of 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one (CID 135142040) is 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one.
What is the SMILES notation for 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one?
The canonical SMILES for 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one is CC(C)C1CC(CC(C)(C)C2CCC(C)(C)C2)CC1=O.
What is the InChIKey of 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one?
The InChIKey is XJPKVCRMOHBJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-13(2)16-9-14(10-17(16)20)11-19(5,6)15-7-8-18(3,4)12-15/h13-16H,7-12H2,1-6H3.
What are the key properties of 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one?
4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one has a molecular weight of 278.48 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-dimethylcyclopentyl)-2-methylpropyl]-2-propan-2-ylcyclopentan-1-one is sourced from PubChem (CID 135142040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).