(9E)-trideca-1,9-dien-4,6-diyn-3-ol

C13H16O — CID 10726292

IUPAC(9E)-trideca-1,9-dien-4,6-diyn-3-ol
SMILESC=CC(O)C#CC#CC/C=C/CCC
InChIInChI=1S/C13H16O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h4,6-7,13-14H,2-3,5,8H2,1H3/b7-6+
InChIKeyIMEXSTBZNSUWPH-VOTSOKGWSA-N
MW188.27 g/mol
LogP2.29
Rot. Bonds4

About (9E)-trideca-1,9-dien-4,6-diyn-3-ol

(9E)-trideca-1,9-dien-4,6-diyn-3-ol (PubChem CID 10726292) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (9E)-trideca-1,9-dien-4,6-diyn-3-ol.

Molecular Properties

Compound Name(9E)-trideca-1,9-dien-4,6-diyn-3-ol
PubChem CID10726292
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(9E)-trideca-1,9-dien-4,6-diyn-3-ol
SMILESC=CC(O)C#CC#CC/C=C/CCC
InChIInChI=1S/C13H16O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h4,6-7,13-14H,2-3,5,8H2,1H3/b7-6+
InChIKeyIMEXSTBZNSUWPH-VOTSOKGWSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,9E,11E)-heptadeca-1,9,11-trien-4,6-diyn-3-ol
CID 162983421
10-hydroxydodeca-3,11-dien-6,8-diynoic acid
CID 71346453
(3R,9Z,11Z)-heptadeca-1,9,11,16-tetraen-4,6-diyn-3-ol
CID 6442009
deca-1,9-dien-4,6-diyne-3,8-diol
CID 10583112
(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
(8E)-heptadeca-1,8-dien-4,6-diyn-3-ol
CID 87603284
deca-1,6-dien-3-ol
CID 56622854
(3R,9R,10S)-heptadec-1-en-4,6-diyne-3,9,10-triol
CID 95359672
non-5-en-2-yn-1-ol
CID 57194533
(3S,8E,10E)-heptadeca-1,8,10-trien-4,6-diyn-3-ol
CID 162999782
(3S,8S,9E)-pentadeca-1,9,14-trien-4,6-diyne-3,8-diol
CID 162974276

Frequently Asked Questions

What is the IUPAC name of (9E)-trideca-1,9-dien-4,6-diyn-3-ol?
The IUPAC name of (9E)-trideca-1,9-dien-4,6-diyn-3-ol (CID 10726292) is (9E)-trideca-1,9-dien-4,6-diyn-3-ol.
What is the SMILES notation for (9E)-trideca-1,9-dien-4,6-diyn-3-ol?
The canonical SMILES for (9E)-trideca-1,9-dien-4,6-diyn-3-ol is C=CC(O)C#CC#CC/C=C/CCC.
What is the InChIKey of (9E)-trideca-1,9-dien-4,6-diyn-3-ol?
The InChIKey is IMEXSTBZNSUWPH-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H16O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h4,6-7,13-14H,2-3,5,8H2,1H3/b7-6+.
What are the key properties of (9E)-trideca-1,9-dien-4,6-diyn-3-ol?
(9E)-trideca-1,9-dien-4,6-diyn-3-ol has a molecular weight of 188.27 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-trideca-1,9-dien-4,6-diyn-3-ol is sourced from PubChem (CID 10726292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).