(4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol

C15H18O — CID 163023474

IUPAC(4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol
SMILESC/C=C/C#CC#C/C=C/C=C/[C@H](O)CCC
InChIInChI=1S/C15H18O/c1-3-5-6-7-8-9-10-11-12-14-15(16)13-4-2/h3,5,10-12,14-16H,4,13H2,1-2H3/b5-3+,11-10+,14-12+/t15-/m1/s1
InChIKeyZUECWYDJLXPMNJ-ZOECRXDISA-N
MW214.31 g/mol
LogP2.84
Rot. Bonds4

About (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol

(4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol (PubChem CID 163023474) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol.

Molecular Properties

Compound Name(4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol
PubChem CID163023474
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol
SMILESC/C=C/C#CC#C/C=C/C=C/[C@H](O)CCC
InChIInChI=1S/C15H18O/c1-3-5-6-7-8-9-10-11-12-14-15(16)13-4-2/h3,5,10-12,14-16H,4,13H2,1-2H3/b5-3+,11-10+,14-12+/t15-/m1/s1
InChIKeyZUECWYDJLXPMNJ-ZOECRXDISA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol with MolForge

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Related Compounds

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CID 25265910
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CID 42538
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Ipsdienol
CID 92301
2,4-Nonadien-1-ol
CID 112492
Bupleurotoxin
CID 44613554
3-Octen-2-ol, (3E)-
CID 5358336
2-Methyl-6-methylene-2,7-octadien-4-ol
CID 85734
(4R)-2-methyl-6-methylideneocta-2,7-dien-4-ol
CID 181296
Virol A
CID 11108083
2-Hepten-4-ol
CID 5366235

Frequently Asked Questions

What is the IUPAC name of (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol?
The IUPAC name of (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol (CID 163023474) is (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol.
What is the SMILES notation for (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol?
The canonical SMILES for (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol is C/C=C/C#CC#C/C=C/C=C/[C@H](O)CCC.
What is the InChIKey of (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol?
The InChIKey is ZUECWYDJLXPMNJ-ZOECRXDISA-N. The full InChI is InChI=1S/C15H18O/c1-3-5-6-7-8-9-10-11-12-14-15(16)13-4-2/h3,5,10-12,14-16H,4,13H2,1-2H3/b5-3+,11-10+,14-12+/t15-/m1/s1.
What are the key properties of (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol?
(4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol has a molecular weight of 214.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-4-ol is sourced from PubChem (CID 163023474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).