3-methyldeca-2,4-dien-2-ol

C11H20O — CID 87216804

IUPAC3-methyldeca-2,4-dien-2-ol
SMILESCCCCCC=CC(C)=C(C)O
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-9-10(2)11(3)12/h8-9,12H,4-7H2,1-3H3
InChIKeyZHVCMZRUCZLDBY-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.97
Rot. Bonds5

About 3-methyldeca-2,4-dien-2-ol

3-methyldeca-2,4-dien-2-ol (PubChem CID 87216804) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyldeca-2,4-dien-2-ol.

Molecular Properties

Compound Name3-methyldeca-2,4-dien-2-ol
PubChem CID87216804
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methyldeca-2,4-dien-2-ol
SMILESCCCCCC=CC(C)=C(C)O
InChIInChI=1S/C11H20O/c1-4-5-6-7-8-9-10(2)11(3)12/h8-9,12H,4-7H2,1-3H3
InChIKeyZHVCMZRUCZLDBY-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.97
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyldeca-2,4-dien-2-ol?
The IUPAC name of 3-methyldeca-2,4-dien-2-ol (CID 87216804) is 3-methyldeca-2,4-dien-2-ol.
What is the SMILES notation for 3-methyldeca-2,4-dien-2-ol?
The canonical SMILES for 3-methyldeca-2,4-dien-2-ol is CCCCCC=CC(C)=C(C)O.
What is the InChIKey of 3-methyldeca-2,4-dien-2-ol?
The InChIKey is ZHVCMZRUCZLDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-7-8-9-10(2)11(3)12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3-methyldeca-2,4-dien-2-ol?
3-methyldeca-2,4-dien-2-ol has a molecular weight of 168.28 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyldeca-2,4-dien-2-ol is sourced from PubChem (CID 87216804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).