2,2,4-trimethylhexan-1-ol

C9H20O — CID 14747424

IUPAC2,2,4-trimethylhexan-1-ol
SMILESCCC(C)CC(C)(C)CO
InChIInChI=1S/C9H20O/c1-5-8(2)6-9(3,4)7-10/h8,10H,5-7H2,1-4H3
InChIKeyJNWGRGISOITMRT-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds4

About 2,2,4-trimethylhexan-1-ol

2,2,4-trimethylhexan-1-ol (PubChem CID 14747424) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 2,2,4-trimethylhexan-1-ol.

Molecular Properties

Compound Name2,2,4-trimethylhexan-1-ol
PubChem CID14747424
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name2,2,4-trimethylhexan-1-ol
SMILESCCC(C)CC(C)(C)CO
InChIInChI=1S/C9H20O/c1-5-8(2)6-9(3,4)7-10/h8,10H,5-7H2,1-4H3
InChIKeyJNWGRGISOITMRT-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2,4-trimethylhexan-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

4,4,6-trimethyloctan-2-ol
CID 64717881
2,2,4,6-tetramethylheptan-1-ol
CID 156689267
3,5,5,8-tetramethyldecane
CID 57491683
(4R)-2,4-dimethyl-2-(methylamino)hexan-1-ol
CID 88673624
methane;2,2,4-trimethylhexane
CID 159659116
azane;2,2,4-trimethylhexane
CID 87634842
1,1,1-trifluoro-3-methylpentane
CID 21020397
2,2,6,6,8-pentamethyldecane
CID 123898761
2-ethyl-2,5,7,7-tetramethyloctane-1,3,4,8-tetrol
CID 90460331
2,2-dimethylpropane-1,3-diol;propan-2-ol
CID 174928286
(2R,7S)-5,5,7-trimethylnonan-2-amine
CID 138642965
2,2,5,5,7-pentamethyloctane-1,4,6-triol
CID 175140928

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylhexan-1-ol?
The IUPAC name of 2,2,4-trimethylhexan-1-ol (CID 14747424) is 2,2,4-trimethylhexan-1-ol.
What is the SMILES notation for 2,2,4-trimethylhexan-1-ol?
The canonical SMILES for 2,2,4-trimethylhexan-1-ol is CCC(C)CC(C)(C)CO.
What is the InChIKey of 2,2,4-trimethylhexan-1-ol?
The InChIKey is JNWGRGISOITMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-5-8(2)6-9(3,4)7-10/h8,10H,5-7H2,1-4H3.
What are the key properties of 2,2,4-trimethylhexan-1-ol?
2,2,4-trimethylhexan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylhexan-1-ol is sourced from PubChem (CID 14747424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).