6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one

C15H24O2 — CID 76511772

IUPAC6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one
SMILESCC1(O)CCC(C2(C)CCCC2(C)C)=CC1=O
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h10,17H,5-9H2,1-4H3
InChIKeyXRBCPARPBGDOTM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.24
Rot. Bonds1

About 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one

6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one (PubChem CID 76511772) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one
PubChem CID76511772
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one
SMILESCC1(O)CCC(C2(C)CCCC2(C)C)=CC1=O
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h10,17H,5-9H2,1-4H3
InChIKeyXRBCPARPBGDOTM-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,11,12-Trihydroxy-1(10)-spirovetiven-2-one
CID 539964
(10R,13S)-4-hydroxy-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 44287449
(3aS,7aR)-5-(2-hydroxy-2-methylpropyl)-3a,6,7a-trimethyl-1,2,3,7-tetrahydroinden-4-one
CID 25156424
7-Hydroxy-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 15601421
3-Hydroxysolavetivone
CID 15601422
Swartzianin C
CID 10421550
Spironostoic acid
CID 168010361
Laurenone A
CID 596195
(4S,6R)-6-hydroxy-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-2-en-1-one
CID 11218401
Spiroacaciicolide A
CID 101906040
(8S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 13243723
Helicobasidin
CID 166831

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one?
The IUPAC name of 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one (CID 76511772) is 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one.
What is the SMILES notation for 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one?
The canonical SMILES for 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one is CC1(O)CCC(C2(C)CCCC2(C)C)=CC1=O.
What is the InChIKey of 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one?
The InChIKey is XRBCPARPBGDOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h10,17H,5-9H2,1-4H3.
What are the key properties of 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one?
6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-3-(1,2,2-trimethylcyclopentyl)cyclohex-2-en-1-one is sourced from PubChem (CID 76511772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).