1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone

C10H16O2 — CID 45086440

IUPAC1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1(O)CC=CC(C)(C)C1
InChIInChI=1S/C10H16O2/c1-8(11)10(12)6-4-5-9(2,3)7-10/h4-5,12H,6-7H2,1-3H3
InChIKeyUJUFGNWYRACXOA-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds1

About 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone

1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone (PubChem CID 45086440) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone
PubChem CID45086440
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone
SMILESCC(=O)C1(O)CC=CC(C)(C)C1
InChIInChI=1S/C10H16O2/c1-8(11)10(12)6-4-5-9(2,3)7-10/h4-5,12H,6-7H2,1-3H3
InChIKeyUJUFGNWYRACXOA-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone?
The IUPAC name of 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone (CID 45086440) is 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone?
The canonical SMILES for 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone is CC(=O)C1(O)CC=CC(C)(C)C1.
What is the InChIKey of 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone?
The InChIKey is UJUFGNWYRACXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(11)10(12)6-4-5-9(2,3)7-10/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone?
1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone has a molecular weight of 168.24 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-5,5-dimethylcyclohex-3-en-1-yl)ethanone is sourced from PubChem (CID 45086440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).