3-ethylundecan-3-ol

C13H28O — CID 522019

IUPAC3-ethylundecan-3-ol
SMILESCCCCCCCCC(O)(CC)CC
InChIInChI=1S/C13H28O/c1-4-7-8-9-10-11-12-13(14,5-2)6-3/h14H,4-12H2,1-3H3
InChIKeyQXBICICNPXFSCC-UHFFFAOYSA-N
MW200.37 g/mol
LogP4.29
Rot. Bonds9

About 3-ethylundecan-3-ol

3-ethylundecan-3-ol (PubChem CID 522019) has the molecular formula C13H28O and a molecular weight of 200.37 g/mol. Its IUPAC name is 3-ethylundecan-3-ol.

Molecular Properties

Compound Name3-ethylundecan-3-ol
PubChem CID522019
Molecular FormulaC13H28O
Molecular Weight200.37 g/mol
Exact Mass200.21
IUPAC Name3-ethylundecan-3-ol
SMILESCCCCCCCCC(O)(CC)CC
InChIInChI=1S/C13H28O/c1-4-7-8-9-10-11-12-13(14,5-2)6-3/h14H,4-12H2,1-3H3
InChIKeyQXBICICNPXFSCC-UHFFFAOYSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethylundecan-3-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

Tetrahydrolinalool
CID 6548
1-Methylcycloheptan-1-ol
CID 77376
2-Methyl-2-heptanol
CID 12242
2,4-Dimethyl-4-nonanol
CID 3018500
3,6-Dimethyl-3-octanol
CID 9027
2,6-Dimethyl-2-heptanol
CID 83268
Tetrahydromyrcenol
CID 86751
2-Octanol, 2-methyl-
CID 69406
3-Methyl-3-octanol
CID 21432
1-Ethylcyclohexanol
CID 16021
1-Propyl-1-cyclopentanol
CID 98267
2,7-Dimethyl-2,7-octanediol
CID 140597

Frequently Asked Questions

What is the IUPAC name of 3-ethylundecan-3-ol?
The IUPAC name of 3-ethylundecan-3-ol (CID 522019) is 3-ethylundecan-3-ol.
What is the SMILES notation for 3-ethylundecan-3-ol?
The canonical SMILES for 3-ethylundecan-3-ol is CCCCCCCCC(O)(CC)CC.
What is the InChIKey of 3-ethylundecan-3-ol?
The InChIKey is QXBICICNPXFSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O/c1-4-7-8-9-10-11-12-13(14,5-2)6-3/h14H,4-12H2,1-3H3.
What are the key properties of 3-ethylundecan-3-ol?
3-ethylundecan-3-ol has a molecular weight of 200.37 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylundecan-3-ol is sourced from PubChem (CID 522019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).