(2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one

C16H16O4 — CID 11097678

IUPAC(2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one
SMILESC=C[C@H](O)C#CC#C[C@@H](O)/C=C\CC1=C[C@@H](C)OC1=O
InChIInChI=1S/C16H16O4/c1-3-14(17)8-4-5-9-15(18)10-6-7-13-11-12(2)20-16(13)19/h3,6,10-12,14-15,17-18H,1,7H2,2H3/b10-6-/t12-,14+,15-/m1/s1
InChIKeyZVNJQANZWXBDCG-YJPOHDHLSA-N
MW272.30 g/mol
LogP0.72
Rot. Bonds4

About (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one

(2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one (PubChem CID 11097678) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one
PubChem CID11097678
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one
SMILESC=C[C@H](O)C#CC#C[C@@H](O)/C=C\CC1=C[C@@H](C)OC1=O
InChIInChI=1S/C16H16O4/c1-3-14(17)8-4-5-9-15(18)10-6-7-13-11-12(2)20-16(13)19/h3,6,10-12,14-15,17-18H,1,7H2,2H3/b10-6-/t12-,14+,15-/m1/s1
InChIKeyZVNJQANZWXBDCG-YJPOHDHLSA-N
XLogP0.72
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-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

1-acetyl-3-senecioyl-4E-6E-12E-atractylentriol
CID 14448076
(5s)-3-[(3e,5s)-5-Hydroxy-3-hepten-6-yn-1-yl]-5-methyl-2(5h)-furanone
CID 10352939
(2R)-4-[(Z)-11-hydroxyundec-2-en-5,7,9-triynyl]-2-methyl-2H-furan-5-one
CID 11821130
Sibiscolacton
CID 102170498
(2R)-2-[(2E,6Z)-8-hydroxy-6-(hydroxymethyl)-2-methylocta-2,6-dienyl]-4-(4-methylpent-3-enyl)-2H-furan-5-one
CID 162903719
4-(4-hydroxy-4-methylpent-2-enyl)-2H-furan-5-one
CID 163055837
(1-Acetyloxy-14-hydroxytetradeca-4,6,12-trien-8,10-diyn-3-yl) 3-methylbut-2-enoate
CID 72731491
5-Ethoxycarbonylhexa-2,5-dienoic acid
CID 54186981
3-Butoxycarbonylhexa-2,5-dienoic acid
CID 54204533
5-Propoxycarbonylhexa-2,5-dienoic acid
CID 54464078
5-Butoxycarbonylhexa-2,5-dienoic acid
CID 54505888
2-Methyl-6-prop-2-enoyloxyhept-2-enoic acid
CID 57134223

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one?
The IUPAC name of (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one (CID 11097678) is (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one.
What is the SMILES notation for (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one?
The canonical SMILES for (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one is C=C[C@H](O)C#CC#C[C@@H](O)/C=C\CC1=C[C@@H](C)OC1=O.
What is the InChIKey of (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one?
The InChIKey is ZVNJQANZWXBDCG-YJPOHDHLSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-14(17)8-4-5-9-15(18)10-6-7-13-11-12(2)20-16(13)19/h3,6,10-12,14-15,17-18H,1,7H2,2H3/b10-6-/t12-,14+,15-/m1/s1.
What are the key properties of (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one?
(2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one has a molecular weight of 272.30 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2Z,4S,9S)-4,9-dihydroxyundeca-2,10-dien-5,7-diynyl]-2-methyl-2H-furan-5-one is sourced from PubChem (CID 11097678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).