dodeca-1,4,11-trien-1-ol

C12H20O — CID 175296129

IUPACdodeca-1,4,11-trien-1-ol
SMILESC=CCCCCCC=CCC=CO
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,8-9,11-13H,1,3-7,10H2
InChIKeyNYDMFKRKWFFUAF-UHFFFAOYSA-N
MW180.29 g/mol
LogP4.14
Rot. Bonds8

About dodeca-1,4,11-trien-1-ol

dodeca-1,4,11-trien-1-ol (PubChem CID 175296129) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is dodeca-1,4,11-trien-1-ol.

Molecular Properties

Compound Namedodeca-1,4,11-trien-1-ol
PubChem CID175296129
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Namedodeca-1,4,11-trien-1-ol
SMILESC=CCCCCCC=CCC=CO
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,8-9,11-13H,1,3-7,10H2
InChIKeyNYDMFKRKWFFUAF-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dodeca-1,4,11-trien-1-ol?
The IUPAC name of dodeca-1,4,11-trien-1-ol (CID 175296129) is dodeca-1,4,11-trien-1-ol.
What is the SMILES notation for dodeca-1,4,11-trien-1-ol?
The canonical SMILES for dodeca-1,4,11-trien-1-ol is C=CCCCCCC=CCC=CO.
What is the InChIKey of dodeca-1,4,11-trien-1-ol?
The InChIKey is NYDMFKRKWFFUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2,8-9,11-13H,1,3-7,10H2.
What are the key properties of dodeca-1,4,11-trien-1-ol?
dodeca-1,4,11-trien-1-ol has a molecular weight of 180.29 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodeca-1,4,11-trien-1-ol is sourced from PubChem (CID 175296129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).