6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one

C15H26O2 — CID 91749471

IUPAC6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one
SMILESCC(C)CCCC(C)C1=CC(=O)C(C)(O)CC1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h10-12,17H,5-9H2,1-4H3
InChIKeyOXQXZFFVWPEAHX-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.49
Rot. Bonds5

About 6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one

6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one (PubChem CID 91749471) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one
PubChem CID91749471
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one
SMILESCC(C)CCCC(C)C1=CC(=O)C(C)(O)CC1
InChIInChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h10-12,17H,5-9H2,1-4H3
InChIKeyOXQXZFFVWPEAHX-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-2-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-2,5-cyclohexadiene-1,4-dione
CID 11393311
Vatiquinone
CID 46184405
2-Hydroxy-3-isopropyl-6-methylcyclohex-2-enone
CID 108261
Isoperezone
CID 178981
(+)-Hernandulcin
CID 125608
gamma-Tocopheryl quinone
CID 10320624
beta-Tocopheryl quinone
CID 12444428
6-(2-Hydroxy-6-methylhept-5-en-2-yl)-3-methylcyclohex-2-en-1-one
CID 12051505
gamma-Tocopherylquinone
CID 58488759
3-Hydroxybisabola-1,10-dien-9-one
CID 14633004
2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-6-methylcyclohexa-2,5-diene-1,4-dione
CID 49765076
3-epi-Perforenone A
CID 639667

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one?
The IUPAC name of 6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one (CID 91749471) is 6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one?
The canonical SMILES for 6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one is CC(C)CCCC(C)C1=CC(=O)C(C)(O)CC1.
What is the InChIKey of 6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one?
The InChIKey is OXQXZFFVWPEAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-11(2)6-5-7-12(3)13-8-9-15(4,17)14(16)10-13/h10-12,17H,5-9H2,1-4H3.
What are the key properties of 6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one?
6-hydroxy-6-methyl-3-(6-methylheptan-2-yl)cyclohex-2-en-1-one has a molecular weight of 238.37 g/mol, XLogP of 3.49, 5 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-(6-methylheptan-2-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 91749471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).