1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone

C10H14O2 — CID 67428165

IUPAC1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone
SMILESCC1(C)C=CC=CC1C(=O)CO
InChIInChI=1S/C10H14O2/c1-10(2)6-4-3-5-8(10)9(12)7-11/h3-6,8,11H,7H2,1-2H3
InChIKeyQAYXRNCBUQEBDY-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.32
Rot. Bonds2

About 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone

1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone (PubChem CID 67428165) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone
PubChem CID67428165
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone
SMILESCC1(C)C=CC=CC1C(=O)CO
InChIInChI=1S/C10H14O2/c1-10(2)6-4-3-5-8(10)9(12)7-11/h3-6,8,11H,7H2,1-2H3
InChIKeyQAYXRNCBUQEBDY-UHFFFAOYSA-N
XLogP1.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Fluorocyclohexa-2,4-dien-1-yl)-2-hydroxyethanone
CID 153741667
2-Hydroxy-1-(1,2,2-trimethylcyclopent-3-en-1-yl)ethanone
CID 156267659
3-Hydroxy-1-isopropyl-benzaldehyd
CID 129646901
2-Hydroxy-1-[(1s,2r,6r)-2-methyl-6-vinylcyclo-hex-3-en-1-yl]ethanone
CID 129758399
(3R)-1-hydroxy-3-methylhept-5-en-2-one
CID 53635376
2-Hydroxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 69933507
2-Hydroxy-2-methyl-1-(1-propan-2-ylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 70423726
2-Hydroxy-1-(2-sulfanylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 88560603
1-Cyclohexa-2,4-dien-1-yl-2-hydroxyethanone
CID 139632033
6-(1-Hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
CID 140982379
2-(1,6-Dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyacetic acid
CID 141058118
1-[6-(Hydroxymethyl)-6-methylcyclohexa-2,4-dien-1-yl]propan-2-one
CID 151171751

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone?
The IUPAC name of 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone (CID 67428165) is 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone.
What is the SMILES notation for 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone?
The canonical SMILES for 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone is CC1(C)C=CC=CC1C(=O)CO.
What is the InChIKey of 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone?
The InChIKey is QAYXRNCBUQEBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-10(2)6-4-3-5-8(10)9(12)7-11/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone?
1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone has a molecular weight of 166.22 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone is sourced from PubChem (CID 67428165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).