1-cyclopentyl-2-cyclopropylbutan-2-ol

C12H22O — CID 65153921

IUPAC1-cyclopentyl-2-cyclopropylbutan-2-ol
SMILESCCC(O)(CC1CCCC1)C1CC1
InChIInChI=1S/C12H22O/c1-2-12(13,11-7-8-11)9-10-5-3-4-6-10/h10-11,13H,2-9H2,1H3
InChIKeyONGGDUGUCIZBCD-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds4

About 1-cyclopentyl-2-cyclopropylbutan-2-ol

1-cyclopentyl-2-cyclopropylbutan-2-ol (PubChem CID 65153921) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-cyclopentyl-2-cyclopropylbutan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-2-cyclopropylbutan-2-ol
PubChem CID65153921
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name1-cyclopentyl-2-cyclopropylbutan-2-ol
SMILESCCC(O)(CC1CCCC1)C1CC1
InChIInChI=1S/C12H22O/c1-2-12(13,11-7-8-11)9-10-5-3-4-6-10/h10-11,13H,2-9H2,1H3
InChIKeyONGGDUGUCIZBCD-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cyclopentyl-2-cyclopropylbutan-2-ol 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-cyclopentyl-2-cyclopropylbutan-2-ol?
The IUPAC name of 1-cyclopentyl-2-cyclopropylbutan-2-ol (CID 65153921) is 1-cyclopentyl-2-cyclopropylbutan-2-ol.
What is the SMILES notation for 1-cyclopentyl-2-cyclopropylbutan-2-ol?
The canonical SMILES for 1-cyclopentyl-2-cyclopropylbutan-2-ol is CCC(O)(CC1CCCC1)C1CC1.
What is the InChIKey of 1-cyclopentyl-2-cyclopropylbutan-2-ol?
The InChIKey is ONGGDUGUCIZBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-12(13,11-7-8-11)9-10-5-3-4-6-10/h10-11,13H,2-9H2,1H3.
What are the key properties of 1-cyclopentyl-2-cyclopropylbutan-2-ol?
1-cyclopentyl-2-cyclopropylbutan-2-ol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-cyclopropylbutan-2-ol is sourced from PubChem (CID 65153921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).