4-ethyl-3,4-dimethylundecan-1-ol

C15H32O — CID 123259629

IUPAC4-ethyl-3,4-dimethylundecan-1-ol
SMILESCCCCCCCC(C)(CC)C(C)CCO
InChIInChI=1S/C15H32O/c1-5-7-8-9-10-12-15(4,6-2)14(3)11-13-16/h14,16H,5-13H2,1-4H3
InChIKeyIMWCDMMDZYZPOM-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.78
Rot. Bonds10

About 4-ethyl-3,4-dimethylundecan-1-ol

4-ethyl-3,4-dimethylundecan-1-ol (PubChem CID 123259629) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 4-ethyl-3,4-dimethylundecan-1-ol.

Molecular Properties

Compound Name4-ethyl-3,4-dimethylundecan-1-ol
PubChem CID123259629
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name4-ethyl-3,4-dimethylundecan-1-ol
SMILESCCCCCCCC(C)(CC)C(C)CCO
InChIInChI=1S/C15H32O/c1-5-7-8-9-10-12-15(4,6-2)14(3)11-13-16/h14,16H,5-13H2,1-4H3
InChIKeyIMWCDMMDZYZPOM-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethyl-3,4-dimethylundecan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
6-ethyl-2,6,7-trimethyldecane
CID 123269799
4,5,5-trimethyldodecane
CID 123360574
4,5-dimethyl-5-propylnonane;ethane
CID 144518109
6-methyl-6-propan-2-ylundecane
CID 87930599
3-methyl-3-propyloctan-2-ol
CID 20501793
3,3-dimethylnonan-2-ol
CID 19931299
3-ethyl-3,4-dimethylhexan-1-ol
CID 139931255
3,3-dimethyldecan-2-ol
CID 87975868
3,3-dioctadecylpentane-1,5-diol
CID 59698466
2,3,3-trimethyloctadecane
CID 90966938

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4-dimethylundecan-1-ol?
The IUPAC name of 4-ethyl-3,4-dimethylundecan-1-ol (CID 123259629) is 4-ethyl-3,4-dimethylundecan-1-ol.
What is the SMILES notation for 4-ethyl-3,4-dimethylundecan-1-ol?
The canonical SMILES for 4-ethyl-3,4-dimethylundecan-1-ol is CCCCCCCC(C)(CC)C(C)CCO.
What is the InChIKey of 4-ethyl-3,4-dimethylundecan-1-ol?
The InChIKey is IMWCDMMDZYZPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-5-7-8-9-10-12-15(4,6-2)14(3)11-13-16/h14,16H,5-13H2,1-4H3.
What are the key properties of 4-ethyl-3,4-dimethylundecan-1-ol?
4-ethyl-3,4-dimethylundecan-1-ol has a molecular weight of 228.42 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4-dimethylundecan-1-ol is sourced from PubChem (CID 123259629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).