3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one

C11H16O3 — CID 7070297

IUPAC3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one
SMILESCC(=O)CC1=C(O)CC(C)(C)CC1=O
InChIInChI=1S/C11H16O3/c1-7(12)4-8-9(13)5-11(2,3)6-10(8)14/h13H,4-6H2,1-3H3
InChIKeyGNSOXUGOIUIPBN-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.17
Rot. Bonds2

About 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one

3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one (PubChem CID 7070297) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one
PubChem CID7070297
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one
SMILESCC(=O)CC1=C(O)CC(C)(C)CC1=O
InChIInChI=1S/C11H16O3/c1-7(12)4-8-9(13)5-11(2,3)6-10(8)14/h13H,4-6H2,1-3H3
InChIKeyGNSOXUGOIUIPBN-UHFFFAOYSA-N
XLogP2.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone
CID 551084
2-Hydroxy-3-isopropyl-6-methylcyclohex-2-enone
CID 108261
2,2'-Methylenebis(5,5-dimethyl-3-hydroxy-2-cyclohexen-1-one)
CID 558012
5-Hydroxy-2,2,6,6-tetramethyl-4-(2-methylpropanoyl)cyclohex-4-ene-1,3-dione
CID 5325550
5-Hydroxy-2,2,6,6-tetramethyl-4-(3-methylbutanoyl)cyclohex-4-ene-1,3-dione
CID 6428441
4-Hexanoyl-5-hydroxy-2,2,6,6-tetramethyl-cyclohex-4-ene-1,3-dione
CID 6482357
Hydropiperone
CID 9997632
2-Hydroxy-3,5,5-trimethylcyclohex-2-ene-1,4-dione
CID 37246
2-Cyclohexen-1-one, 3-(3-hydroxybutyl)-2,4,4-trimethyl-
CID 520295
3-(2-Hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxopentanoic acid
CID 597086
1-Hydroxyethylidene)-5,5-dimethyl-1,3-cyclohexanedione
CID 566977
2,4,4-Trimethyl-3-(15-hydroxypentadecyl)-2-cyclohexen-1-one
CID 9799188

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one (CID 7070297) is 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one is CC(=O)CC1=C(O)CC(C)(C)CC1=O.
What is the InChIKey of 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one?
The InChIKey is GNSOXUGOIUIPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7(12)4-8-9(13)5-11(2,3)6-10(8)14/h13H,4-6H2,1-3H3.
What are the key properties of 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one?
3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one has a molecular weight of 196.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5,5-dimethyl-2-(2-oxopropyl)cyclohex-2-en-1-one is sourced from PubChem (CID 7070297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).