(3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol

C14H18O3 — CID 162919827

IUPAC(3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol
SMILESOC/C=C/C#CC#C/C=C/CC[C@@H](O)CCO
InChIInChI=1S/C14H18O3/c15-12-9-7-5-3-1-2-4-6-8-10-14(17)11-13-16/h4,6-7,9,14-17H,8,10-13H2/b6-4+,9-7+/t14-/m1/s1
InChIKeyUPFDCOQGBJSFPB-FCAQWLMHSA-N
MW234.30 g/mol
LogP0.62
Rot. Bonds6

About (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol

(3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol (PubChem CID 162919827) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol.

Molecular Properties

Compound Name(3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol
PubChem CID162919827
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol
SMILESOC/C=C/C#CC#C/C=C/CC[C@@H](O)CCO
InChIInChI=1S/C14H18O3/c15-12-9-7-5-3-1-2-4-6-8-10-14(17)11-13-16/h4,6-7,9,14-17H,8,10-13H2/b6-4+,9-7+/t14-/m1/s1
InChIKeyUPFDCOQGBJSFPB-FCAQWLMHSA-N
XLogP0.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol 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

2-Octen-4-ol, (2E)-
CID 5366203
(8Z)-(+)-1,8-Heptadecadiene-4,6-diyne-3,10-diol
CID 6438621
Dendroarboreol B
CID 5469788
Virol C
CID 11108150
Virol A
CID 11108083
1,8-Heptadecadiene-4,6-diyne-3,10-diol
CID 4557
(3S)-Diynene
CID 5469784
(3S,8E)-hexadeca-1,8,15-trien-4,6-diyne-3,10-diol
CID 162658103
Cicudiol
CID 44359698
Npc77822
CID 5318010
(9Z,11S,16S)-octadeca-9,17-dien-12,14-diyne-1,11,16-triol
CID 71745005
9-Pentadecene-12,14-diyne-1,11-diol
CID 13913099

Frequently Asked Questions

What is the IUPAC name of (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol?
The IUPAC name of (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol (CID 162919827) is (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol.
What is the SMILES notation for (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol?
The canonical SMILES for (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol is OC/C=C/C#CC#C/C=C/CC[C@@H](O)CCO.
What is the InChIKey of (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol?
The InChIKey is UPFDCOQGBJSFPB-FCAQWLMHSA-N. The full InChI is InChI=1S/C14H18O3/c15-12-9-7-5-3-1-2-4-6-8-10-14(17)11-13-16/h4,6-7,9,14-17H,8,10-13H2/b6-4+,9-7+/t14-/m1/s1.
What are the key properties of (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol?
(3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol has a molecular weight of 234.30 g/mol, XLogP of 0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6E,12E)-tetradeca-6,12-dien-8,10-diyne-1,3,14-triol is sourced from PubChem (CID 162919827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).