(9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol

C15H18O — CID 162648810

IUPAC(9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol
SMILESC=CCCC/C=C\CC#CC#CC(O)C=C
InChIInChI=1S/C15H18O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-4,8-9,15-16H,1-2,5-7,10H2/b9-8-
InChIKeyQYKLAXXIXPIANQ-HJWRWDBZSA-N
MW214.31 g/mol
LogP2.84
Rot. Bonds6

About (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol

(9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol (PubChem CID 162648810) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol.

Molecular Properties

Compound Name(9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol
PubChem CID162648810
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol
SMILESC=CCCC/C=C\CC#CC#CC(O)C=C
InChIInChI=1S/C15H18O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-4,8-9,15-16H,1-2,5-7,10H2/b9-8-
InChIKeyQYKLAXXIXPIANQ-HJWRWDBZSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol?
The IUPAC name of (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol (CID 162648810) is (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol.
What is the SMILES notation for (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol?
The canonical SMILES for (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol is C=CCCC/C=C\CC#CC#CC(O)C=C.
What is the InChIKey of (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol?
The InChIKey is QYKLAXXIXPIANQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H18O/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)4-2/h3-4,8-9,15-16H,1-2,5-7,10H2/b9-8-.
What are the key properties of (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol?
(9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol has a molecular weight of 214.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-pentadeca-1,9,14-trien-4,6-diyn-3-ol is sourced from PubChem (CID 162648810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).