(E)-tridec-4-en-7,9,11-triyn-1-ol

C13H14O — CID 101412524

IUPAC(E)-tridec-4-en-7,9,11-triyn-1-ol
SMILESCC#CC#CC#CC/C=C/CCCO
InChIInChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,14H,8,11-13H2,1H3/b10-9+
InChIKeyDEFYCTYBTIYASV-MDZDMXLPSA-N
MW186.25 g/mol
LogP1.74
Rot. Bonds4

About (E)-tridec-4-en-7,9,11-triyn-1-ol

(E)-tridec-4-en-7,9,11-triyn-1-ol (PubChem CID 101412524) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-tridec-4-en-7,9,11-triyn-1-ol.

Molecular Properties

Compound Name(E)-tridec-4-en-7,9,11-triyn-1-ol
PubChem CID101412524
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name(E)-tridec-4-en-7,9,11-triyn-1-ol
SMILESCC#CC#CC#CC/C=C/CCCO
InChIInChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,14H,8,11-13H2,1H3/b10-9+
InChIKeyDEFYCTYBTIYASV-MDZDMXLPSA-N
XLogP1.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.74
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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Related Compounds

tridec-4-en-7,9,11-triynyl acetate
CID 163082957
tridec-4-en-7,9,11-triynyl 3-methylbutanoate
CID 162877318
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
deca-4,6,8-triyn-1-ol
CID 12000449
(E)-tridec-4-en-7-yn-1-ol
CID 6437422
(2E,9E)-N-(2-methylpropyl)hexadeca-2,9-dien-12,14-diynamide
CID 14259841
nona-5,7-diyn-1-ol
CID 13293576
(Z)-dec-2-en-6,8-diyn-1-ol
CID 53344348
dodeca-2,4,6,8,10-pentayn-1-ol
CID 153422692
(Z)-hept-4-en-1-ol
CID 5367536
(Z)-tetradec-5-en-2-yn-1-ol
CID 13044974
(E)-dec-5-en-2,8-diyne
CID 13442496

Frequently Asked Questions

What is the IUPAC name of (E)-tridec-4-en-7,9,11-triyn-1-ol?
The IUPAC name of (E)-tridec-4-en-7,9,11-triyn-1-ol (CID 101412524) is (E)-tridec-4-en-7,9,11-triyn-1-ol.
What is the SMILES notation for (E)-tridec-4-en-7,9,11-triyn-1-ol?
The canonical SMILES for (E)-tridec-4-en-7,9,11-triyn-1-ol is CC#CC#CC#CC/C=C/CCCO.
What is the InChIKey of (E)-tridec-4-en-7,9,11-triyn-1-ol?
The InChIKey is DEFYCTYBTIYASV-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H14O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,14H,8,11-13H2,1H3/b10-9+.
What are the key properties of (E)-tridec-4-en-7,9,11-triyn-1-ol?
(E)-tridec-4-en-7,9,11-triyn-1-ol has a molecular weight of 186.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tridec-4-en-7,9,11-triyn-1-ol is sourced from PubChem (CID 101412524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).