3-butyldodecan-1-ol

C16H34O — CID 118576685

IUPAC3-butyldodecan-1-ol
SMILESCCCCCCCCCC(CCO)CCCC
InChIInChI=1S/C16H34O/c1-3-5-7-8-9-10-11-13-16(14-15-17)12-6-4-2/h16-17H,3-15H2,1-2H3
InChIKeyUMMUJXAADWIMFW-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.32
Rot. Bonds13

About 3-butyldodecan-1-ol

3-butyldodecan-1-ol (PubChem CID 118576685) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 3-butyldodecan-1-ol.

Molecular Properties

Compound Name3-butyldodecan-1-ol
PubChem CID118576685
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name3-butyldodecan-1-ol
SMILESCCCCCCCCCC(CCO)CCCC
InChIInChI=1S/C16H34O/c1-3-5-7-8-9-10-11-13-16(14-15-17)12-6-4-2/h16-17H,3-15H2,1-2H3
InChIKeyUMMUJXAADWIMFW-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-butyldodecan-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-butylundecan-1-ol
CID 13109026
3-octyltridecan-1-ol
CID 13109029
3-pentylundecan-1-ol
CID 118576679
3-octyldodecane-1,12-diol
CID 141481121
3-propyloctan-1-ol
CID 22492569
(2R)-2-heptylbutane-1,4-diol
CID 129405629
(2S)-2-octylbutane-1,4-diol
CID 71417147
azane;3-ethylhenicosan-1-ol
CID 174815540
5-decylheptadecan-1-ol
CID 171774120
4-hexyldodecan-1-ol
CID 23212981
11-octylicosan-1-ol
CID 162349984
4-heptadecylheptane-1,7-diol
CID 54374368

Frequently Asked Questions

What is the IUPAC name of 3-butyldodecan-1-ol?
The IUPAC name of 3-butyldodecan-1-ol (CID 118576685) is 3-butyldodecan-1-ol.
What is the SMILES notation for 3-butyldodecan-1-ol?
The canonical SMILES for 3-butyldodecan-1-ol is CCCCCCCCCC(CCO)CCCC.
What is the InChIKey of 3-butyldodecan-1-ol?
The InChIKey is UMMUJXAADWIMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-3-5-7-8-9-10-11-13-16(14-15-17)12-6-4-2/h16-17H,3-15H2,1-2H3.
What are the key properties of 3-butyldodecan-1-ol?
3-butyldodecan-1-ol has a molecular weight of 242.45 g/mol, XLogP of 5.32, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyldodecan-1-ol is sourced from PubChem (CID 118576685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).