(4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol

C17H26O — CID 15736263

IUPAC(4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol
SMILESC=CC(O)/C=C/C#CC/C=C\CCCCCCC
InChIInChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,15-18H,2-3,5-9,12H2,1H3/b11-10-,16-15+
InChIKeyAZYMFOSYSFSUMW-JXNPCESCSA-N
MW246.39 g/mol
LogP4.40
Rot. Bonds9

About (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol

(4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol (PubChem CID 15736263) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol.

Molecular Properties

Compound Name(4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol
PubChem CID15736263
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol
SMILESC=CC(O)/C=C/C#CC/C=C\CCCCCCC
InChIInChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,15-18H,2-3,5-9,12H2,1H3/b11-10-,16-15+
InChIKeyAZYMFOSYSFSUMW-JXNPCESCSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.40
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'}

Analyze (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol with MolForge

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Related Compounds

(3S,4Z)-undeca-1,4-dien-3-ol
CID 129408350
(Z)-tetradec-5-en-2-yn-1-ol
CID 13044974
(Z)-pentadec-6-en-9-yne
CID 10703505
(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol
CID 87603284
(3R,8S,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol;(3R,8S,9E)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
CID 87532668
(3R,9Z)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
CID 102184429
(16Z,19Z,22Z,27E,29S,31Z)-29-hydroxytetratriaconta-16,19,22,27,31-pentaen-25-ynoic acid
CID 153310860
(E)-hexacos-10-ene
CID 22172169
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650

Frequently Asked Questions

What is the IUPAC name of (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol?
The IUPAC name of (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol (CID 15736263) is (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol.
What is the SMILES notation for (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol?
The canonical SMILES for (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol is C=CC(O)/C=C/C#CC/C=C\CCCCCCC.
What is the InChIKey of (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol?
The InChIKey is AZYMFOSYSFSUMW-JXNPCESCSA-N. The full InChI is InChI=1S/C17H26O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,10-11,15-18H,2-3,5-9,12H2,1H3/b11-10-,16-15+.
What are the key properties of (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol?
(4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol has a molecular weight of 246.39 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,9Z)-heptadeca-1,4,9-trien-6-yn-3-ol is sourced from PubChem (CID 15736263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).