2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one

C16H26O4 — CID 134856376

IUPAC2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one
SMILESCOC(C(C)/C=C(\C)C1OC(=O)C=CC1C)C(C)CO
InChIInChI=1S/C16H26O4/c1-10-6-7-14(18)20-16(10)12(3)8-11(2)15(19-5)13(4)9-17/h6-8,10-11,13,15-17H,9H2,1-5H3/b12-8+
InChIKeyQYGWZXXZCIQZMO-XYOKQWHBSA-N
MW282.38 g/mol
LogP2.33
Rot. Bonds6

About 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one

2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one (PubChem CID 134856376) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one
PubChem CID134856376
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one
SMILESCOC(C(C)/C=C(\C)C1OC(=O)C=CC1C)C(C)CO
InChIInChI=1S/C16H26O4/c1-10-6-7-14(18)20-16(10)12(3)8-11(2)15(19-5)13(4)9-17/h6-8,10-11,13,15-17H,9H2,1-5H3/b12-8+
InChIKeyQYGWZXXZCIQZMO-XYOKQWHBSA-N
XLogP2.33
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-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

(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one
CID 6440973
Macrolactin U
CID 25188765
Chaxalactin B
CID 54671552
CID 6444600
CID 6444600
ACRL Toxin II
CID 131751033
(2R)-2-[(1E,3R,4R,6R,7Z,9Z,11E)-3,4,6,13-tetrahydroxy-3-methyltrideca-1,7,9,11-tetraenyl]-2,3-dihydropyran-6-one
CID 6442150
Hippolide E
CID 53355992
Chaxalactin C
CID 54671553
Latrunculeic Acid
CID 11426344
Salinipyrone A
CID 54733173
Euscapholide
CID 100956117
(2S,3S)-2-[(1E,3Z,5R)-3-ethyl-7-hydroxy-5-methylhepta-1,3-dienyl]-3-methyl-2,3-dihydropyran-6-one
CID 44327218

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one (CID 134856376) is 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one is COC(C(C)/C=C(\C)C1OC(=O)C=CC1C)C(C)CO.
What is the InChIKey of 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one?
The InChIKey is QYGWZXXZCIQZMO-XYOKQWHBSA-N. The full InChI is InChI=1S/C16H26O4/c1-10-6-7-14(18)20-16(10)12(3)8-11(2)15(19-5)13(4)9-17/h6-8,10-11,13,15-17H,9H2,1-5H3/b12-8+.
What are the key properties of 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one?
2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one has a molecular weight of 282.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-7-hydroxy-5-methoxy-4,6-dimethylhept-2-en-2-yl]-3-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 134856376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).