6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one

C12H18O2 — CID 148847074

IUPAC6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one
SMILESCC1=CC(=O)C(C)(O)C(CC(C)C)=C1
InChIInChI=1S/C12H18O2/c1-8(2)5-10-6-9(3)7-11(13)12(10,4)14/h6-8,14H,5H2,1-4H3
InChIKeyOWRJVPVPNWVLPW-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.24
Rot. Bonds2

About 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one

6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one (PubChem CID 148847074) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one
PubChem CID148847074
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one
SMILESCC1=CC(=O)C(C)(O)C(CC(C)C)=C1
InChIInChI=1S/C12H18O2/c1-8(2)5-10-6-9(3)7-11(13)12(10,4)14/h6-8,14H,5H2,1-4H3
InChIKeyOWRJVPVPNWVLPW-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,6S)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-6-methylcyclohex-2-en-1-one
CID 25750965
Acremine A
CID 11447472
(4S,6R)-4,6-dihydroxy-3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methylcyclohex-2-en-1-one
CID 11736278
Indicumenone
CID 46173956
Acrimine B
CID 11356526
2-Cyclohexen-1-one, 6-hydroxy-3-methyl-6-(1-methylethenyl)-, (6S)-
CID 10820955
6-Hydroxy-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one
CID 14413024
Lippidulcine A
CID 11673265
(1Z,5S,12Z)-5-hydroxy-12-methyl-7-methylidene-3-propan-2-yltricyclo[7.5.1.05,15]pentadeca-1(14),2,9(15),12-tetraen-4-one
CID 162871303
(6S)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
CID 162909242
(5R)-5-[(E,2R)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-2-methylcyclohex-2-en-1-one
CID 162965196
(6R)-6-hydroxy-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one
CID 163071598

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one (CID 148847074) is 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one is CC1=CC(=O)C(C)(O)C(CC(C)C)=C1.
What is the InChIKey of 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one?
The InChIKey is OWRJVPVPNWVLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)5-10-6-9(3)7-11(13)12(10,4)14/h6-8,14H,5H2,1-4H3.
What are the key properties of 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one?
6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3,6-dimethyl-5-(2-methylpropyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 148847074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).