2,2-dimethylhexan-1-ol

C8H18O — CID 16912

IUPAC2,2-dimethylhexan-1-ol
SMILESCCCCC(C)(C)CO
InChIInChI=1S/C8H18O/c1-4-5-6-8(2,3)7-9/h9H,4-7H2,1-3H3
InChIKeyGSSDZVRLQDXOPL-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.20
Rot. Bonds4

About 2,2-dimethylhexan-1-ol

2,2-dimethylhexan-1-ol (PubChem CID 16912) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 2,2-dimethylhexan-1-ol.

Molecular Properties

Compound Name2,2-dimethylhexan-1-ol
PubChem CID16912
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name2,2-dimethylhexan-1-ol
SMILESCCCCC(C)(C)CO
InChIInChI=1S/C8H18O/c1-4-5-6-8(2,3)7-9/h9H,4-7H2,1-3H3
InChIKeyGSSDZVRLQDXOPL-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethylhexan-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 2,2-dimethylhexan-1-ol?
The IUPAC name of 2,2-dimethylhexan-1-ol (CID 16912) is 2,2-dimethylhexan-1-ol.
What is the SMILES notation for 2,2-dimethylhexan-1-ol?
The canonical SMILES for 2,2-dimethylhexan-1-ol is CCCCC(C)(C)CO.
What is the InChIKey of 2,2-dimethylhexan-1-ol?
The InChIKey is GSSDZVRLQDXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-4-5-6-8(2,3)7-9/h9H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethylhexan-1-ol?
2,2-dimethylhexan-1-ol has a molecular weight of 130.23 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylhexan-1-ol is sourced from PubChem (CID 16912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).