4,4-dibutyloctan-1-ol

C16H34O — CID 58892760

IUPAC4,4-dibutyloctan-1-ol
SMILESCCCCC(CCCC)(CCCC)CCCO
InChIInChI=1S/C16H34O/c1-4-7-11-16(12-8-5-2,13-9-6-3)14-10-15-17/h17H,4-15H2,1-3H3
InChIKeyNBWYDOHQLNTKEU-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.32
Rot. Bonds12

About 4,4-dibutyloctan-1-ol

4,4-dibutyloctan-1-ol (PubChem CID 58892760) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 4,4-dibutyloctan-1-ol.

Molecular Properties

Compound Name4,4-dibutyloctan-1-ol
PubChem CID58892760
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name4,4-dibutyloctan-1-ol
SMILESCCCCC(CCCC)(CCCC)CCCO
InChIInChI=1S/C16H34O/c1-4-7-11-16(12-8-5-2,13-9-6-3)14-10-15-17/h17H,4-15H2,1-3H3
InChIKeyNBWYDOHQLNTKEU-UHFFFAOYSA-N
XLogP5.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

4,4-dibutyldodecan-1-ol
CID 87374441
2-butyl-2-ethylpropane-1,3-diol;nonane-1,9-diol
CID 157049942
3-butyl-3-ethyloctane-1,8-diol
CID 151923682
2-butyl-2-propylheptane-1,7-diol
CID 151269549
2-butyl-2-ethylpropane-1,3-diol;bis(octan-1-ol);titanium
CID 18718422
4,4-dichlorooctan-1-ol
CID 163217193
3-heptadecyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 87979521
3,3-dioctadecylpentane-1,5-diol
CID 59698466
4-decyltetradecane-1,4-diol
CID 170650453
calcium;hydride;undecan-1-ol
CID 174734394
10,10-dibutylicosane
CID 151498539
calcium;dodecan-1-ol;hydride
CID 173099575

Frequently Asked Questions

What is the IUPAC name of 4,4-dibutyloctan-1-ol?
The IUPAC name of 4,4-dibutyloctan-1-ol (CID 58892760) is 4,4-dibutyloctan-1-ol.
What is the SMILES notation for 4,4-dibutyloctan-1-ol?
The canonical SMILES for 4,4-dibutyloctan-1-ol is CCCCC(CCCC)(CCCC)CCCO.
What is the InChIKey of 4,4-dibutyloctan-1-ol?
The InChIKey is NBWYDOHQLNTKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-4-7-11-16(12-8-5-2,13-9-6-3)14-10-15-17/h17H,4-15H2,1-3H3.
What are the key properties of 4,4-dibutyloctan-1-ol?
4,4-dibutyloctan-1-ol has a molecular weight of 242.45 g/mol, XLogP of 5.32, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dibutyloctan-1-ol is sourced from PubChem (CID 58892760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).