2,5-dimethylhexan-2-ol

C8H18O — CID 19506

IUPAC2,5-dimethylhexan-2-ol
SMILESCC(C)CCC(C)(C)O
InChIInChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3
InChIKeyJPUIYNHIEXIFMV-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds3

About 2,5-dimethylhexan-2-ol

2,5-dimethylhexan-2-ol (PubChem CID 19506) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name2,5-dimethylhexan-2-ol
PubChem CID19506
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2,5-dimethylhexan-2-ol
SMILESCC(C)CCC(C)(C)O
InChIInChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3
InChIKeyJPUIYNHIEXIFMV-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,5-dimethylhexan-2-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 2,5-dimethylhexan-2-ol?
The IUPAC name of 2,5-dimethylhexan-2-ol (CID 19506) is 2,5-dimethylhexan-2-ol.
What is the SMILES notation for 2,5-dimethylhexan-2-ol?
The canonical SMILES for 2,5-dimethylhexan-2-ol is CC(C)CCC(C)(C)O.
What is the InChIKey of 2,5-dimethylhexan-2-ol?
The InChIKey is JPUIYNHIEXIFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3.
What are the key properties of 2,5-dimethylhexan-2-ol?
2,5-dimethylhexan-2-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhexan-2-ol is sourced from PubChem (CID 19506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).