(2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol

C15H18O — CID 44613551

IUPAC(2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol
SMILESCCCC/C=C/C=C/C#CC#C/C=C\CO
InChIInChI=1S/C15H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8,13-14,16H,2-4,15H2,1H3/b6-5+,8-7+,14-13-
InChIKeyNEGOOEOCQZTKIT-INWOKVTFSA-N
MW214.31 g/mol
LogP2.84
Rot. Bonds5

About (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol

(2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol (PubChem CID 44613551) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol.

Molecular Properties

Compound Name(2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol
PubChem CID44613551
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol
SMILESCCCC/C=C/C=C/C#CC#C/C=C\CO
InChIInChI=1S/C15H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8,13-14,16H,2-4,15H2,1H3/b6-5+,8-7+,14-13-
InChIKeyNEGOOEOCQZTKIT-INWOKVTFSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol?
The IUPAC name of (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol (CID 44613551) is (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol.
What is the SMILES notation for (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol?
The canonical SMILES for (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol is CCCC/C=C/C=C/C#CC#C/C=C\CO.
What is the InChIKey of (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol?
The InChIKey is NEGOOEOCQZTKIT-INWOKVTFSA-N. The full InChI is InChI=1S/C15H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8,13-14,16H,2-4,15H2,1H3/b6-5+,8-7+,14-13-.
What are the key properties of (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol?
(2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol has a molecular weight of 214.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8E,10E)-pentadeca-2,8,10-trien-4,6-diyn-1-ol is sourced from PubChem (CID 44613551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).