3-butylundecan-1-ol

C15H32O — CID 13109026

IUPAC3-butylundecan-1-ol
SMILESCCCCCCCCC(CCO)CCCC
InChIInChI=1S/C15H32O/c1-3-5-7-8-9-10-12-15(13-14-16)11-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyVMLWZTNSQDTBRE-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.93
Rot. Bonds12

About 3-butylundecan-1-ol

3-butylundecan-1-ol (PubChem CID 13109026) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-butylundecan-1-ol.

Molecular Properties

Compound Name3-butylundecan-1-ol
PubChem CID13109026
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name3-butylundecan-1-ol
SMILESCCCCCCCCC(CCO)CCCC
InChIInChI=1S/C15H32O/c1-3-5-7-8-9-10-12-15(13-14-16)11-6-4-2/h15-16H,3-14H2,1-2H3
InChIKeyVMLWZTNSQDTBRE-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-butyldodecan-1-ol
CID 118576685
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-butylundecan-1-ol?
The IUPAC name of 3-butylundecan-1-ol (CID 13109026) is 3-butylundecan-1-ol.
What is the SMILES notation for 3-butylundecan-1-ol?
The canonical SMILES for 3-butylundecan-1-ol is CCCCCCCCC(CCO)CCCC.
What is the InChIKey of 3-butylundecan-1-ol?
The InChIKey is VMLWZTNSQDTBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-3-5-7-8-9-10-12-15(13-14-16)11-6-4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of 3-butylundecan-1-ol?
3-butylundecan-1-ol has a molecular weight of 228.42 g/mol, XLogP of 4.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylundecan-1-ol is sourced from PubChem (CID 13109026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).