5-butylundecan-6-ol

C15H32O — CID 89253058

IUPAC5-butylundecan-6-ol
SMILESCCCCCC(O)C(CCCC)CCCC
InChIInChI=1S/C15H32O/c1-4-7-10-13-15(16)14(11-8-5-2)12-9-6-3/h14-16H,4-13H2,1-3H3
InChIKeyFVSHMOBYHDNYGA-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.92
Rot. Bonds11

About 5-butylundecan-6-ol

5-butylundecan-6-ol (PubChem CID 89253058) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 5-butylundecan-6-ol.

Molecular Properties

Compound Name5-butylundecan-6-ol
PubChem CID89253058
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name5-butylundecan-6-ol
SMILESCCCCCC(O)C(CCCC)CCCC
InChIInChI=1S/C15H32O/c1-4-7-10-13-15(16)14(11-8-5-2)12-9-6-3/h14-16H,4-13H2,1-3H3
InChIKeyFVSHMOBYHDNYGA-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-butylundecan-6-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-butylnonane-1,4-diol
CID 87416344
5-butylnonan-4-ol
CID 173066814
11-octadecylicosane-1,10,20-triol
CID 174674177
7-ethylpentadecan-8-ol
CID 91407819
6-ethyloctadecan-7-ol
CID 22321194
nonacosane-14,15-diol
CID 91509633
5-ethylpentadecane-6,7-diol
CID 123906465
5-ethyltetradecane-6,7-diol
CID 22726226
7-[(2-hexyl-3-hydroxyoctoxy)methyl]tridecan-6-ol
CID 88834941
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
8,9-dibutylhexadecane
CID 530025
4-ethylnonan-3-ol
CID 135150430

Frequently Asked Questions

What is the IUPAC name of 5-butylundecan-6-ol?
The IUPAC name of 5-butylundecan-6-ol (CID 89253058) is 5-butylundecan-6-ol.
What is the SMILES notation for 5-butylundecan-6-ol?
The canonical SMILES for 5-butylundecan-6-ol is CCCCCC(O)C(CCCC)CCCC.
What is the InChIKey of 5-butylundecan-6-ol?
The InChIKey is FVSHMOBYHDNYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-4-7-10-13-15(16)14(11-8-5-2)12-9-6-3/h14-16H,4-13H2,1-3H3.
What are the key properties of 5-butylundecan-6-ol?
5-butylundecan-6-ol has a molecular weight of 228.42 g/mol, XLogP of 4.92, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylundecan-6-ol is sourced from PubChem (CID 89253058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).