1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone

C10H16O3 — CID 174181144

IUPAC1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=C(O)CC(C)(C)CC1O
InChIInChI=1S/C10H16O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h7,12-13H,4-5H2,1-3H3
InChIKeyURWSBCMUMZTCAU-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.57
Rot. Bonds1

About 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone

1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone (PubChem CID 174181144) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone
PubChem CID174181144
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone
SMILESCC(=O)C1=C(O)CC(C)(C)CC1O
InChIInChI=1S/C10H16O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h7,12-13H,4-5H2,1-3H3
InChIKeyURWSBCMUMZTCAU-UHFFFAOYSA-N
XLogP1.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone?
The IUPAC name of 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone (CID 174181144) is 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone is CC(=O)C1=C(O)CC(C)(C)CC1O.
What is the InChIKey of 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone?
The InChIKey is URWSBCMUMZTCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6(11)9-7(12)4-10(2,3)5-8(9)13/h7,12-13H,4-5H2,1-3H3.
What are the key properties of 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone?
1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone has a molecular weight of 184.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dihydroxy-4,4-dimethylcyclohexen-1-yl)ethanone is sourced from PubChem (CID 174181144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).