(4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol

C13H16O — CID 162905882

IUPAC(4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol
SMILESC=CC[C@@H](O)/C=C/C#CC#CCCC
InChIInChI=1S/C13H16O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h4,10,12-14H,2-3,5,11H2,1H3/b12-10+/t13-/m1/s1
InChIKeyAAOBYDYOAZKODR-RSKUSDAESA-N
MW188.27 g/mol
LogP2.29
Rot. Bonds4

About (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol

(4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol (PubChem CID 162905882) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol.

Molecular Properties

Compound Name(4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol
PubChem CID162905882
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol
SMILESC=CC[C@@H](O)/C=C/C#CC#CCCC
InChIInChI=1S/C13H16O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h4,10,12-14H,2-3,5,11H2,1H3/b12-10+/t13-/m1/s1
InChIKeyAAOBYDYOAZKODR-RSKUSDAESA-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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Frequently Asked Questions

What is the IUPAC name of (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol?
The IUPAC name of (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol (CID 162905882) is (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol.
What is the SMILES notation for (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol?
The canonical SMILES for (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol is C=CC[C@@H](O)/C=C/C#CC#CCCC.
What is the InChIKey of (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol?
The InChIKey is AAOBYDYOAZKODR-RSKUSDAESA-N. The full InChI is InChI=1S/C13H16O/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h4,10,12-14H,2-3,5,11H2,1H3/b12-10+/t13-/m1/s1.
What are the key properties of (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol?
(4R,5E)-trideca-1,5-dien-7,9-diyn-4-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 (4R,5E)-trideca-1,5-dien-7,9-diyn-4-ol is sourced from PubChem (CID 162905882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).