10-hydroxydodeca-3,11-dien-6,8-diynoic acid

C12H12O3 — CID 71346453

IUPAC10-hydroxydodeca-3,11-dien-6,8-diynoic acid
SMILESC=CC(O)C#CC#CCC=CCC(=O)O
InChIInChI=1S/C12H12O3/c1-2-11(13)9-7-5-3-4-6-8-10-12(14)15/h2,6,8,11,13H,1,4,10H2,(H,14,15)
InChIKeyKGYQVRFIVASXSR-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.96
Rot. Bonds4

About 10-hydroxydodeca-3,11-dien-6,8-diynoic acid

10-hydroxydodeca-3,11-dien-6,8-diynoic acid (PubChem CID 71346453) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 10-hydroxydodeca-3,11-dien-6,8-diynoic acid.

Molecular Properties

Compound Name10-hydroxydodeca-3,11-dien-6,8-diynoic acid
PubChem CID71346453
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name10-hydroxydodeca-3,11-dien-6,8-diynoic acid
SMILESC=CC(O)C#CC#CCC=CCC(=O)O
InChIInChI=1S/C12H12O3/c1-2-11(13)9-7-5-3-4-6-8-10-12(14)15/h2,6,8,11,13H,1,4,10H2,(H,14,15)
InChIKeyKGYQVRFIVASXSR-UHFFFAOYSA-N
XLogP0.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(9E)-trideca-1,9-dien-4,6-diyn-3-ol
CID 10726292
deca-1,9-dien-4,6-diyne-3,8-diol
CID 10583112
(3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol
CID 6442009
3,10-dihydroxydodeca-4,11-dien-6,8-diynoic acid
CID 71346456
(2Z)-deca-2,9-dien-4,6-diyne-1,8-diol
CID 90656893
(16R)-9,16-dihydroxyoctadeca-10,17-dien-12,14-diynoic acid
CID 90024114
4-[(9E)-heptadeca-1,9-dien-4,6-diyn-3-yl]oxy-4-oxobutanoic acid
CID 10315486
(3S,8S,9E)-pentadeca-1,9,14-trien-4,6-diyne-3,8-diol
CID 162974276
[(2R,3Z,16S)-2,16-dihydroxyoctadeca-3,17-dien-12,14-diynyl] acetate
CID 38355100
(3E)-octa-3,7-dienoic acid
CID 12688314
octa-3,7-dienoic acid
CID 71318533
[(11S,16R)-11,16-dihydroxyoctadeca-9,17-dien-12,14-diynyl] acetate
CID 54413553

Frequently Asked Questions

What is the IUPAC name of 10-hydroxydodeca-3,11-dien-6,8-diynoic acid?
The IUPAC name of 10-hydroxydodeca-3,11-dien-6,8-diynoic acid (CID 71346453) is 10-hydroxydodeca-3,11-dien-6,8-diynoic acid.
What is the SMILES notation for 10-hydroxydodeca-3,11-dien-6,8-diynoic acid?
The canonical SMILES for 10-hydroxydodeca-3,11-dien-6,8-diynoic acid is C=CC(O)C#CC#CCC=CCC(=O)O.
What is the InChIKey of 10-hydroxydodeca-3,11-dien-6,8-diynoic acid?
The InChIKey is KGYQVRFIVASXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-2-11(13)9-7-5-3-4-6-8-10-12(14)15/h2,6,8,11,13H,1,4,10H2,(H,14,15).
What are the key properties of 10-hydroxydodeca-3,11-dien-6,8-diynoic acid?
10-hydroxydodeca-3,11-dien-6,8-diynoic acid has a molecular weight of 204.22 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydodeca-3,11-dien-6,8-diynoic acid is sourced from PubChem (CID 71346453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).