5-methyldeca-2,3,4-trien-1-ol

C11H18O — CID 134995227

IUPAC5-methyldeca-2,3,4-trien-1-ol
SMILESCCCCCC(C)=C=C=CCO
InChIInChI=1S/C11H18O/c1-3-4-5-8-11(2)9-6-7-10-12/h7,12H,3-5,8,10H2,1-2H3/b11-7+
InChIKeyORJDLCGBVRVOMS-YRNVUSSQSA-N
MW166.26 g/mol
LogP2.82
Rot. Bonds5

About 5-methyldeca-2,3,4-trien-1-ol

5-methyldeca-2,3,4-trien-1-ol (PubChem CID 134995227) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-methyldeca-2,3,4-trien-1-ol.

Molecular Properties

Compound Name5-methyldeca-2,3,4-trien-1-ol
PubChem CID134995227
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-methyldeca-2,3,4-trien-1-ol
SMILESCCCCCC(C)=C=C=CCO
InChIInChI=1S/C11H18O/c1-3-4-5-8-11(2)9-6-7-10-12/h7,12H,3-5,8,10H2,1-2H3/b11-7+
InChIKeyORJDLCGBVRVOMS-YRNVUSSQSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.82
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 5-methyldeca-2,3,4-trien-1-ol?
The IUPAC name of 5-methyldeca-2,3,4-trien-1-ol (CID 134995227) is 5-methyldeca-2,3,4-trien-1-ol.
What is the SMILES notation for 5-methyldeca-2,3,4-trien-1-ol?
The canonical SMILES for 5-methyldeca-2,3,4-trien-1-ol is CCCCCC(C)=C=C=CCO.
What is the InChIKey of 5-methyldeca-2,3,4-trien-1-ol?
The InChIKey is ORJDLCGBVRVOMS-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H18O/c1-3-4-5-8-11(2)9-6-7-10-12/h7,12H,3-5,8,10H2,1-2H3/b11-7+.
What are the key properties of 5-methyldeca-2,3,4-trien-1-ol?
5-methyldeca-2,3,4-trien-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyldeca-2,3,4-trien-1-ol is sourced from PubChem (CID 134995227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).