(E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one

C15H24O4 — CID 122403923

IUPAC(E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one
SMILESCC(C)(O)/C=C/C(=O)C(C)(O)C1C=CC(C)(O)CC1
InChIInChI=1S/C15H24O4/c1-13(2,17)8-7-12(16)15(4,19)11-5-9-14(3,18)10-6-11/h5,7-9,11,17-19H,6,10H2,1-4H3/b8-7+
InChIKeyYAPMMUVQKDQVBB-BQYQJAHWSA-N
MW268.35 g/mol
LogP1.35
Rot. Bonds4

About (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one

(E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one (PubChem CID 122403923) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one.

Molecular Properties

Compound Name(E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one
PubChem CID122403923
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name(E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one
SMILESCC(C)(O)/C=C/C(=O)C(C)(O)C1C=CC(C)(O)CC1
InChIInChI=1S/C15H24O4/c1-13(2,17)8-7-12(16)15(4,19)11-5-9-14(3,18)10-6-11/h5,7-9,11,17-19H,6,10H2,1-4H3/b8-7+
InChIKeyYAPMMUVQKDQVBB-BQYQJAHWSA-N
XLogP1.35
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-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

Related Compounds

3-Hydroxybisabola-1,10-dien-9-one
CID 14633004
5-Hydroxy-5-isopropyl-3,8-dimethyl-7,8-dihydronaphthalene-1,2,6-trione
CID 5275546
(4S)-4-hydroxy-4-methyl-2-[(3R)-2-methyl-6-oxoheptan-3-yl]cyclohex-2-en-1-one
CID 21580967
Indicumenone
CID 46173956
3-Hydroxy-1,10-bisaboladien-9-one
CID 14633003
(5R,8R)-5-hydroxy-3,8-dimethyl-5-propan-2-yl-7,8-dihydronaphthalene-1,2,6-trione
CID 10912308
(4alpha,10beta)-4,10-Dihydroxy cadin-1(6)-en-5-one
CID 101434798
(3E)-2,10-dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one
CID 163190826
2,10-Dihydroxy-2,6,10-trimethyldodeca-3,11-dien-5-one
CID 85671496
Verticinol A
CID 139585723
Trichobisabolin F
CID 146683370
(6S)-6-hydroxy-3-(2-hydroxypropan-2-yl)-6-methylcyclohex-2-en-1-one
CID 162909242

Frequently Asked Questions

What is the IUPAC name of (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one?
The IUPAC name of (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one (CID 122403923) is (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one.
What is the SMILES notation for (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one?
The canonical SMILES for (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one is CC(C)(O)/C=C/C(=O)C(C)(O)C1C=CC(C)(O)CC1.
What is the InChIKey of (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one?
The InChIKey is YAPMMUVQKDQVBB-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H24O4/c1-13(2,17)8-7-12(16)15(4,19)11-5-9-14(3,18)10-6-11/h5,7-9,11,17-19H,6,10H2,1-4H3/b8-7+.
What are the key properties of (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one?
(E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one has a molecular weight of 268.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6-dihydroxy-2-(4-hydroxy-4-methylcyclohex-2-en-1-yl)-6-methylhept-4-en-3-one is sourced from PubChem (CID 122403923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).