3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one

C13H20O2 — CID 139254963

IUPAC3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(C2(O)CCCC2)C1
InChIInChI=1S/C13H20O2/c1-12(2)8-10(7-11(14)9-12)13(15)5-3-4-6-13/h7,15H,3-6,8-9H2,1-2H3
InChIKeyLDSPNBKDTFKDDC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.61
Rot. Bonds1

About 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one

3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one (PubChem CID 139254963) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one
PubChem CID139254963
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(C2(O)CCCC2)C1
InChIInChI=1S/C13H20O2/c1-12(2)8-10(7-11(14)9-12)13(15)5-3-4-6-13/h7,15H,3-6,8-9H2,1-2H3
InChIKeyLDSPNBKDTFKDDC-UHFFFAOYSA-N
XLogP2.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-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

Related Compounds

4a-hydroxy-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 22950908
(7aS)-7a-methyl-4,5,6,7-tetrahydro-1H-inden-2-one
CID 22216641
8a-methyl-1,4,5,6,7,8-hexahydroazulen-2-one
CID 577910
copper;3,5,5-trimethylcyclohex-2-en-1-one
CID 159197874
CID 70522560
CID 70522560
bis(propan-2-one);3,5,5-trimethylcyclohex-2-en-1-one
CID 19899303
6,6-dimethylcyclohept-2-ene-1,4-dione
CID 70336025
3,5,5-trimethylcyclohex-2-en-1-one;urea
CID 21282221
3-amino-5,5-dimethylcyclohex-2-en-1-one;hydrobromide
CID 67510926
sodium;3,5,5-trimethylcyclohex-2-en-1-one;hydroxide
CID 70498993
cyanic acid;3,5,5-trimethylcyclohex-2-en-1-one
CID 146255597
3,4,4,6,6-pentamethylcyclohept-2-en-1-one
CID 145158727

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one (CID 139254963) is 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one is CC1(C)CC(=O)C=C(C2(O)CCCC2)C1.
What is the InChIKey of 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one?
The InChIKey is LDSPNBKDTFKDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-12(2)8-10(7-11(14)9-12)13(15)5-3-4-6-13/h7,15H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one?
3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one has a molecular weight of 208.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxycyclopentyl)-5,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 139254963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).