(E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one

C15H24O2 — CID 15600437

IUPAC(E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one
SMILESCC1=C(/C=C/C(=O)CC(C)O)C(C)(C)CCC1
InChIInChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)14(11)8-7-13(17)10-12(2)16/h7-8,12,16H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyAKCIWINXSFBRPJ-BQYQJAHWSA-N
MW236.35 g/mol
LogP3.41
Rot. Bonds4

About (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one

(E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one (PubChem CID 15600437) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one.

Molecular Properties

Compound Name(E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one
PubChem CID15600437
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one
SMILESCC1=C(/C=C/C(=O)CC(C)O)C(C)(C)CCC1
InChIInChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)14(11)8-7-13(17)10-12(2)16/h7-8,12,16H,5-6,9-10H2,1-4H3/b8-7+
InChIKeyAKCIWINXSFBRPJ-BQYQJAHWSA-N
XLogP3.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one?
The IUPAC name of (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one (CID 15600437) is (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one.
What is the SMILES notation for (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one?
The canonical SMILES for (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one is CC1=C(/C=C/C(=O)CC(C)O)C(C)(C)CCC1.
What is the InChIKey of (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one?
The InChIKey is AKCIWINXSFBRPJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H24O2/c1-11-6-5-9-15(3,4)14(11)8-7-13(17)10-12(2)16/h7-8,12,16H,5-6,9-10H2,1-4H3/b8-7+.
What are the key properties of (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one?
(E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one has a molecular weight of 236.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-1-(2,6,6-trimethylcyclohexen-1-yl)hex-1-en-3-one is sourced from PubChem (CID 15600437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).