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

C15H22O3 — CID 162927408

IUPAC6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one
SMILESCC1(O)CCC(C2(C)CCC(=O)C2(C)C)=CC1=O
InChIInChI=1S/C15H22O3/c1-13(2)11(16)6-7-14(13,3)10-5-8-15(4,18)12(17)9-10/h9,18H,5-8H2,1-4H3
InChIKeyHQVMGADEIIEFCF-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.42
Rot. Bonds1

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

6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one (PubChem CID 162927408) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one
PubChem CID162927408
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one
SMILESCC1(O)CCC(C2(C)CCC(=O)C2(C)C)=CC1=O
InChIInChI=1S/C15H22O3/c1-13(2)11(16)6-7-14(13,3)10-5-8-15(4,18)12(17)9-10/h9,18H,5-8H2,1-4H3
InChIKeyHQVMGADEIIEFCF-UHFFFAOYSA-N
XLogP2.42
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 539964
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CID 44287449
(3aS,7aR)-5-(2-hydroxy-2-methylpropyl)-3a,6,7a-trimethyl-1,2,3,7-tetrahydroinden-4-one
CID 25156424
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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-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one?
The IUPAC name of 6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one (CID 162927408) is 6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one.
What is the SMILES notation for 6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one?
The canonical SMILES for 6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one is CC1(O)CCC(C2(C)CCC(=O)C2(C)C)=CC1=O.
What is the InChIKey of 6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one?
The InChIKey is HQVMGADEIIEFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-13(2)11(16)6-7-14(13,3)10-5-8-15(4,18)12(17)9-10/h9,18H,5-8H2,1-4H3.
What are the key properties of 6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one?
6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-methyl-3-(1,2,2-trimethyl-3-oxocyclopentyl)cyclohex-2-en-1-one is sourced from PubChem (CID 162927408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).