4-methyldodec-3-en-5-ol

C13H26O — CID 54176839

IUPAC4-methyldodec-3-en-5-ol
SMILESCCC=C(C)C(O)CCCCCCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-11-13(14)12(3)10-5-2/h10,13-14H,4-9,11H2,1-3H3
InChIKeyOYZLDTIRKUCRQY-UHFFFAOYSA-N
MW198.35 g/mol
LogP4.06
Rot. Bonds8

About 4-methyldodec-3-en-5-ol

4-methyldodec-3-en-5-ol (PubChem CID 54176839) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-methyldodec-3-en-5-ol.

Molecular Properties

Compound Name4-methyldodec-3-en-5-ol
PubChem CID54176839
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name4-methyldodec-3-en-5-ol
SMILESCCC=C(C)C(O)CCCCCCC
InChIInChI=1S/C13H26O/c1-4-6-7-8-9-11-13(14)12(3)10-5-2/h10,13-14H,4-9,11H2,1-3H3
InChIKeyOYZLDTIRKUCRQY-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyldodec-3-en-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyldodec-3-en-5-ol?
The IUPAC name of 4-methyldodec-3-en-5-ol (CID 54176839) is 4-methyldodec-3-en-5-ol.
What is the SMILES notation for 4-methyldodec-3-en-5-ol?
The canonical SMILES for 4-methyldodec-3-en-5-ol is CCC=C(C)C(O)CCCCCCC.
What is the InChIKey of 4-methyldodec-3-en-5-ol?
The InChIKey is OYZLDTIRKUCRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O/c1-4-6-7-8-9-11-13(14)12(3)10-5-2/h10,13-14H,4-9,11H2,1-3H3.
What are the key properties of 4-methyldodec-3-en-5-ol?
4-methyldodec-3-en-5-ol has a molecular weight of 198.35 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyldodec-3-en-5-ol is sourced from PubChem (CID 54176839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).