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

C15H18O — CID 141351102

IUPAC(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol
SMILESCCCC/C=C/C=C\C#CC#CC/C=C\O
InChIInChI=1S/C15H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8,14-16H,2-4,13H2,1H3/b6-5+,8-7-,15-14-
InChIKeyAKLBACKPNSVAIG-KQKHETANSA-N
MW214.31 g/mol
LogP3.76
Rot. Bonds5

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

(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol (PubChem CID 141351102) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol.

Molecular Properties

Compound Name(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol
PubChem CID141351102
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol
SMILESCCCC/C=C/C=C\C#CC#CC/C=C\O
InChIInChI=1S/C15H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8,14-16H,2-4,13H2,1H3/b6-5+,8-7-,15-14-
InChIKeyAKLBACKPNSVAIG-KQKHETANSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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

(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 5315864
(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
CID 101258557
(1E)-octa-1,3-dien-1-ol
CID 154003406
18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-one
CID 78384618
pentadeca-2,8,10-trien-4,6-diynyl acetate
CID 162933656
(3S,8E,10E)-heptadeca-1,8,10-trien-4,6-diyn-3-ol
CID 162999782
methyl octadeca-7,9,16-trien-11,13-diynoate
CID 162789825
tetradeca-2,8,10-trien-4,6-diyn-1-ol
CID 175993693
(3S,9E,11E)-heptadeca-1,9,11-trien-4,6-diyn-3-ol
CID 162983421
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
heptadeca-8,10-dien-4,6-diyne-1,14-diol
CID 74932187

Frequently Asked Questions

What is the IUPAC name of (1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol?
The IUPAC name of (1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol (CID 141351102) is (1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol.
What is the SMILES notation for (1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol?
The canonical SMILES for (1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol is CCCC/C=C/C=C\C#CC#CC/C=C\O.
What is the InChIKey of (1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol?
The InChIKey is AKLBACKPNSVAIG-KQKHETANSA-N. The full InChI is InChI=1S/C15H18O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h5-8,14-16H,2-4,13H2,1H3/b6-5+,8-7-,15-14-.
What are the key properties of (1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol?
(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol has a molecular weight of 214.31 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol is sourced from PubChem (CID 141351102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).