4,5,5-trimethylhexan-1-ol

C9H20O — CID 10419311

IUPAC4,5,5-trimethylhexan-1-ol
SMILESCC(CCCO)C(C)(C)C
InChIInChI=1S/C9H20O/c1-8(6-5-7-10)9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyIECJUMYEWJOKHM-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds3

About 4,5,5-trimethylhexan-1-ol

4,5,5-trimethylhexan-1-ol (PubChem CID 10419311) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 4,5,5-trimethylhexan-1-ol.

Molecular Properties

Compound Name4,5,5-trimethylhexan-1-ol
PubChem CID10419311
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name4,5,5-trimethylhexan-1-ol
SMILESCC(CCCO)C(C)(C)C
InChIInChI=1S/C9H20O/c1-8(6-5-7-10)9(2,3)4/h8,10H,5-7H2,1-4H3
InChIKeyIECJUMYEWJOKHM-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 4,5,5-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

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethylhexan-1-ol?
The IUPAC name of 4,5,5-trimethylhexan-1-ol (CID 10419311) is 4,5,5-trimethylhexan-1-ol.
What is the SMILES notation for 4,5,5-trimethylhexan-1-ol?
The canonical SMILES for 4,5,5-trimethylhexan-1-ol is CC(CCCO)C(C)(C)C.
What is the InChIKey of 4,5,5-trimethylhexan-1-ol?
The InChIKey is IECJUMYEWJOKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-8(6-5-7-10)9(2,3)4/h8,10H,5-7H2,1-4H3.
What are the key properties of 4,5,5-trimethylhexan-1-ol?
4,5,5-trimethylhexan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethylhexan-1-ol is sourced from PubChem (CID 10419311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).