2,4-dibutyl-4-methyloctan-1-ol

C17H36O — CID 141037417

IUPAC2,4-dibutyl-4-methyloctan-1-ol
SMILESCCCCC(CO)CC(C)(CCCC)CCCC
InChIInChI=1S/C17H36O/c1-5-8-11-16(15-18)14-17(4,12-9-6-2)13-10-7-3/h16,18H,5-15H2,1-4H3
InChIKeyYYDQKAZXMQCXRI-UHFFFAOYSA-N
MW256.47 g/mol
LogP5.56
Rot. Bonds12

About 2,4-dibutyl-4-methyloctan-1-ol

2,4-dibutyl-4-methyloctan-1-ol (PubChem CID 141037417) has the molecular formula C17H36O and a molecular weight of 256.47 g/mol. Its IUPAC name is 2,4-dibutyl-4-methyloctan-1-ol.

Molecular Properties

Compound Name2,4-dibutyl-4-methyloctan-1-ol
PubChem CID141037417
Molecular FormulaC17H36O
Molecular Weight256.47 g/mol
Exact Mass256.28
IUPAC Name2,4-dibutyl-4-methyloctan-1-ol
SMILESCCCCC(CO)CC(C)(CCCC)CCCC
InChIInChI=1S/C17H36O/c1-5-8-11-16(15-18)14-17(4,12-9-6-2)13-10-7-3/h16,18H,5-15H2,1-4H3
InChIKeyYYDQKAZXMQCXRI-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.47
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

17-methyl-17,19-di(tetradecyl)pentatriacontane
CID 91342880
4-hexyl-4-methylundecane-1,2-diol
CID 139372551
(7S)-5,7-dimethyl-5-propylundecane
CID 175363506
1-Hexanol, 2-ethyl-, magnesium salt (2:1)
CID 74764164
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
2-ethylhexan-1-ol;hydron
CID 175010288
2-ethylhexan-1-ol;iron
CID 22477032
4,4-dimethyl-2-propylpentan-1-ol
CID 87272554
CID 159249113
CID 159249113
2-ethylhexan-1-ol;zirconium;trihydrochloride
CID 173397810
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-4-methyloctan-1-ol?
The IUPAC name of 2,4-dibutyl-4-methyloctan-1-ol (CID 141037417) is 2,4-dibutyl-4-methyloctan-1-ol.
What is the SMILES notation for 2,4-dibutyl-4-methyloctan-1-ol?
The canonical SMILES for 2,4-dibutyl-4-methyloctan-1-ol is CCCCC(CO)CC(C)(CCCC)CCCC.
What is the InChIKey of 2,4-dibutyl-4-methyloctan-1-ol?
The InChIKey is YYDQKAZXMQCXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O/c1-5-8-11-16(15-18)14-17(4,12-9-6-2)13-10-7-3/h16,18H,5-15H2,1-4H3.
What are the key properties of 2,4-dibutyl-4-methyloctan-1-ol?
2,4-dibutyl-4-methyloctan-1-ol has a molecular weight of 256.47 g/mol, XLogP of 5.56, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-4-methyloctan-1-ol is sourced from PubChem (CID 141037417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).