trideca-3,4-dien-1-ol

C13H24O — CID 71400417

IUPACtrideca-3,4-dien-1-ol
SMILESCCCCCCCCC=C=CCCO
InChIInChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9,11,14H,2-8,12-13H2,1H3
InChIKeyHXQPKTFEYWBKCV-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.83
Rot. Bonds9

About trideca-3,4-dien-1-ol

trideca-3,4-dien-1-ol (PubChem CID 71400417) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is trideca-3,4-dien-1-ol.

Molecular Properties

Compound Nametrideca-3,4-dien-1-ol
PubChem CID71400417
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Nametrideca-3,4-dien-1-ol
SMILESCCCCCCCCC=C=CCCO
InChIInChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9,11,14H,2-8,12-13H2,1H3
InChIKeyHXQPKTFEYWBKCV-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trideca-3,4-dien-1-ol?
The IUPAC name of trideca-3,4-dien-1-ol (CID 71400417) is trideca-3,4-dien-1-ol.
What is the SMILES notation for trideca-3,4-dien-1-ol?
The canonical SMILES for trideca-3,4-dien-1-ol is CCCCCCCCC=C=CCCO.
What is the InChIKey of trideca-3,4-dien-1-ol?
The InChIKey is HXQPKTFEYWBKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9,11,14H,2-8,12-13H2,1H3.
What are the key properties of trideca-3,4-dien-1-ol?
trideca-3,4-dien-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-3,4-dien-1-ol is sourced from PubChem (CID 71400417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).