6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one

C10H16O2 — CID 18320357

IUPAC6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC(O)C1CC(C)(C)C=CC1=O
InChIInChI=1S/C10H16O2/c1-7(11)8-6-10(2,3)5-4-9(8)12/h4-5,7-8,11H,6H2,1-3H3
InChIKeyUEHOPICAPQNHJK-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.54
Rot. Bonds1

About 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one

6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one (PubChem CID 18320357) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one
PubChem CID18320357
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one
SMILESCC(O)C1CC(C)(C)C=CC1=O
InChIInChI=1S/C10H16O2/c1-7(11)8-6-10(2,3)5-4-9(8)12/h4-5,7-8,11H,6H2,1-3H3
InChIKeyUEHOPICAPQNHJK-UHFFFAOYSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-2-oxocyclohex-3-ene-1-carboxamide
CID 140979530
6-ethenyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320097
6-(azetidin-1-ylmethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 140979496
4,4-dimethyl-6-(1H-pyrrol-2-yl)cyclohex-2-en-1-one
CID 140979475
(5,5-dimethyl-2-oxocyclohex-3-en-1-yl) formate
CID 18320359
6-(diethylaminomethyl)-4,4-dimethylcyclohex-2-en-1-one
CID 18320134
(5,5-dimethyl-2-oxocyclohex-3-en-1-yl) butanoate
CID 18320264
4,4-dimethyl-6-(1,2-oxazol-3-yl)cyclohex-2-en-1-one
CID 18320290
4,4-dimethyl-6-(1,3-thiazol-2-yl)cyclohex-2-en-1-one
CID 18320148
(4R,5S)-4,5-dihydroxy-4-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
CID 11480581
(4R,5R)-4,5-dihydroxy-4-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
CID 11298112
6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one
CID 130037393

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one (CID 18320357) is 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one is CC(O)C1CC(C)(C)C=CC1=O.
What is the InChIKey of 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one?
The InChIKey is UEHOPICAPQNHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-7(11)8-6-10(2,3)5-4-9(8)12/h4-5,7-8,11H,6H2,1-3H3.
What are the key properties of 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one?
6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyethyl)-4,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 18320357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).