3-ethyl-3-hydroxy-2-methylcyclohexan-1-one

C9H16O2 — CID 138972637

IUPAC3-ethyl-3-hydroxy-2-methylcyclohexan-1-one
SMILESCCC1(O)CCCC(=O)C1C
InChIInChI=1S/C9H16O2/c1-3-9(11)6-4-5-8(10)7(9)2/h7,11H,3-6H2,1-2H3
InChIKeyAADBIYLXNXTTGY-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds1

About 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one

3-ethyl-3-hydroxy-2-methylcyclohexan-1-one (PubChem CID 138972637) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-2-methylcyclohexan-1-one
PubChem CID138972637
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name3-ethyl-3-hydroxy-2-methylcyclohexan-1-one
SMILESCCC1(O)CCCC(=O)C1C
InChIInChI=1S/C9H16O2/c1-3-9(11)6-4-5-8(10)7(9)2/h7,11H,3-6H2,1-2H3
InChIKeyAADBIYLXNXTTGY-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanone, 1-(1-hydroxycyclohexyl)-
CID 91383
3-Oxogeosmin
CID 21723482
4-(2-Hydroxypropan-2-yl)cyclohexan-1-one
CID 15253533
8-Hydroxy-p-menthan-3-one
CID 3014189
(4aS,10aS)-4a-hydroxy-2,3,4,5,6,7,8,9,10,10a-decahydrobenzo[8]annulen-1-one
CID 101687715
2(1H)-Naphthalenone, octahydro-8a-hydroxy-4a-methyl-
CID 316461
5-Hydroxy-2-isopropyl-5-methylcyclohexanone
CID 537586
8-Hydroxymenthone
CID 13614904
10a-Hydroxy-1,2,3,4,4a,5,6,8,9,10-decahydrobenzo[8]annulen-7-one
CID 54570965
2,4-Diacetyl-5-hydroxy-5-methylcyclohexanone
CID 121221034
trans-(2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one
CID 21630930
(4aS,8aR)-4a-hydroxy-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 15440509

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one?
The IUPAC name of 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one (CID 138972637) is 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one.
What is the SMILES notation for 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one?
The canonical SMILES for 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one is CCC1(O)CCCC(=O)C1C.
What is the InChIKey of 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one?
The InChIKey is AADBIYLXNXTTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-9(11)6-4-5-8(10)7(9)2/h7,11H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one?
3-ethyl-3-hydroxy-2-methylcyclohexan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-2-methylcyclohexan-1-one is sourced from PubChem (CID 138972637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).