4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one

C11H18O2 — CID 130146495

IUPAC4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C(C)(C(C)C)CC1O
InChIInChI=1S/C11H18O2/c1-7(2)11(4)6-9(12)8(3)5-10(11)13/h5,7,9,12H,6H2,1-4H3
InChIKeyONZZLQUVGHQCLI-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.93
Rot. Bonds1

About 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one

4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one (PubChem CID 130146495) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one
PubChem CID130146495
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one
SMILESCC1=CC(=O)C(C)(C(C)C)CC1O
InChIInChI=1S/C11H18O2/c1-7(2)11(4)6-9(12)8(3)5-10(11)13/h5,7,9,12H,6H2,1-4H3
InChIKeyONZZLQUVGHQCLI-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,6S)-4-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
CID 130858490
(1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol
CID 91746682
(4S)-4-hydroxy-3-methylcyclohex-2-en-1-one
CID 11550009
4-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one
CID 566734
4-hydroxy-5,5-dimethoxy-3-methylcyclopent-2-en-1-one
CID 71399306
1-propan-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
CID 158344420
5,6-dihydroxy-3,6-dimethylcyclohex-2-en-1-one
CID 74326237
(1R,3aS,9S)-1,9-dihydroxy-3a,6-dimethyl-1-propan-2-yl-2,3,7,8,9,9a-hexahydrocyclopenta[8]annulen-4-one
CID 162817009
(1S,4R,5S,9S)-9-hydroxy-8-methyl-1-propan-2-ylspiro[4.5]dec-7-ene-4-carboxylic acid
CID 155515115
2-(2,4-dichloro-5-methylphenyl)-3-hydroxy-4-methyl-4-propan-2-ylcyclopent-2-en-1-one
CID 20665975
6-hydroxy-2,4,4-trimethyl-3-[(Z)-prop-1-enyl]cyclohex-2-en-1-one
CID 143126972
4,5-dimethylspiro[2.4]hept-5-en-7-one
CID 102097578

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one (CID 130146495) is 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one is CC1=CC(=O)C(C)(C(C)C)CC1O.
What is the InChIKey of 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is ONZZLQUVGHQCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-7(2)11(4)6-9(12)8(3)5-10(11)13/h5,7,9,12H,6H2,1-4H3.
What are the key properties of 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one?
4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 182.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 130146495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).