3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

C10H16O2 — CID 13215568

IUPAC3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)C1CC(=O)C(C)C(O)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h7-9,11H,1,4-5H2,2-3H3
InChIKeyBEOPLWLAXDGUEP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.54
Rot. Bonds1

About 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one (PubChem CID 13215568) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
PubChem CID13215568
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
SMILESC=C(C)C1CC(=O)C(C)C(O)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h7-9,11H,1,4-5H2,2-3H3
InChIKeyBEOPLWLAXDGUEP-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The IUPAC name of 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one (CID 13215568) is 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one.
What is the SMILES notation for 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The canonical SMILES for 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one is C=C(C)C1CC(=O)C(C)C(O)C1.
What is the InChIKey of 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
The InChIKey is BEOPLWLAXDGUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h7-9,11H,1,4-5H2,2-3H3.
What are the key properties of 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one?
3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one is sourced from PubChem (CID 13215568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).