(9E)-tetradeca-9,13-dien-11-yn-1-ol

C14H22O — CID 15705025

IUPAC(9E)-tetradeca-9,13-dien-11-yn-1-ol
SMILESC=CC#C/C=C/CCCCCCCCO
InChIInChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,5-6,15H,1,7-14H2/b6-5+
InChIKeyRHKXBFISNJFBTI-AATRIKPKSA-N
MW206.33 g/mol
LogP3.45
Rot. Bonds8

About (9E)-tetradeca-9,13-dien-11-yn-1-ol

(9E)-tetradeca-9,13-dien-11-yn-1-ol (PubChem CID 15705025) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (9E)-tetradeca-9,13-dien-11-yn-1-ol.

Molecular Properties

Compound Name(9E)-tetradeca-9,13-dien-11-yn-1-ol
PubChem CID15705025
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(9E)-tetradeca-9,13-dien-11-yn-1-ol
SMILESC=CC#C/C=C/CCCCCCCCO
InChIInChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,5-6,15H,1,7-14H2/b6-5+
InChIKeyRHKXBFISNJFBTI-AATRIKPKSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(5E)-7-bromohepta-1,5-dien-3-yne
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CID 57427575
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Frequently Asked Questions

What is the IUPAC name of (9E)-tetradeca-9,13-dien-11-yn-1-ol?
The IUPAC name of (9E)-tetradeca-9,13-dien-11-yn-1-ol (CID 15705025) is (9E)-tetradeca-9,13-dien-11-yn-1-ol.
What is the SMILES notation for (9E)-tetradeca-9,13-dien-11-yn-1-ol?
The canonical SMILES for (9E)-tetradeca-9,13-dien-11-yn-1-ol is C=CC#C/C=C/CCCCCCCCO.
What is the InChIKey of (9E)-tetradeca-9,13-dien-11-yn-1-ol?
The InChIKey is RHKXBFISNJFBTI-AATRIKPKSA-N. The full InChI is InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,5-6,15H,1,7-14H2/b6-5+.
What are the key properties of (9E)-tetradeca-9,13-dien-11-yn-1-ol?
(9E)-tetradeca-9,13-dien-11-yn-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-tetradeca-9,13-dien-11-yn-1-ol is sourced from PubChem (CID 15705025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).