trideca-8,10-dien-4,6-diyn-1-ol

C13H16O — CID 162891318

IUPACtrideca-8,10-dien-4,6-diyn-1-ol
SMILESCCC=CC=CC#CC#CCCCO
InChIInChI=1S/C13H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-6,14H,2,11-13H2,1H3
InChIKeyPWSLXNDRSAQHIG-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.29
Rot. Bonds4

About trideca-8,10-dien-4,6-diyn-1-ol

trideca-8,10-dien-4,6-diyn-1-ol (PubChem CID 162891318) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is trideca-8,10-dien-4,6-diyn-1-ol.

Molecular Properties

Compound Nametrideca-8,10-dien-4,6-diyn-1-ol
PubChem CID162891318
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Nametrideca-8,10-dien-4,6-diyn-1-ol
SMILESCCC=CC=CC#CC#CCCCO
InChIInChI=1S/C13H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-6,14H,2,11-13H2,1H3
InChIKeyPWSLXNDRSAQHIG-UHFFFAOYSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol
CID 131752390
(8E,10E)-heptadeca-8,10-dien-4,6-diyn-1-ol
CID 44359770
5,7-Dodecadien-1-ol
CID 5283274
(5E,7Z)-dodeca-5,7-dien-1-ol
CID 5365647
(5Z,7E)-dodeca-5,7-dien-1-ol
CID 5365646
Cicutol
CID 5315864
Tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 71353587
Heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 163795
(4E,6E)-tetradeca-4,6-dien-8,10,12-triyn-1-ol
CID 14194106
(4E,6E,12E)-tetradeca-4,6,12-trien-8,10-diyn-1-ol
CID 14412218
(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol
CID 14443153
(5E,7E,13E)-pentadeca-5,7,13-trien-9,11-diyn-1-ol
CID 15081404

Frequently Asked Questions

What is the IUPAC name of trideca-8,10-dien-4,6-diyn-1-ol?
The IUPAC name of trideca-8,10-dien-4,6-diyn-1-ol (CID 162891318) is trideca-8,10-dien-4,6-diyn-1-ol.
What is the SMILES notation for trideca-8,10-dien-4,6-diyn-1-ol?
The canonical SMILES for trideca-8,10-dien-4,6-diyn-1-ol is CCC=CC=CC#CC#CCCCO.
What is the InChIKey of trideca-8,10-dien-4,6-diyn-1-ol?
The InChIKey is PWSLXNDRSAQHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h3-6,14H,2,11-13H2,1H3.
What are the key properties of trideca-8,10-dien-4,6-diyn-1-ol?
trideca-8,10-dien-4,6-diyn-1-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 trideca-8,10-dien-4,6-diyn-1-ol is sourced from PubChem (CID 162891318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).