2-ethylhexan-1-ol;hydrate

C8H20O2 — CID 21299410

IUPAC2-ethylhexan-1-ol;hydrate
SMILESCCCCC(CC)CO.O
InChIInChI=1S/C8H18O.H2O/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;1H2
InChIKeyQFCCFXKCPXSXEN-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.37
Rot. Bonds5

About 2-ethylhexan-1-ol;hydrate

2-ethylhexan-1-ol;hydrate (PubChem CID 21299410) has the molecular formula C8H20O2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2-ethylhexan-1-ol;hydrate.

Molecular Properties

Compound Name2-ethylhexan-1-ol;hydrate
PubChem CID21299410
Molecular FormulaC8H20O2
Molecular Weight148.25 g/mol
Exact Mass148.15
IUPAC Name2-ethylhexan-1-ol;hydrate
SMILESCCCCC(CC)CO.O
InChIInChI=1S/C8H18O.H2O/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;1H2
InChIKeyQFCCFXKCPXSXEN-UHFFFAOYSA-N
XLogP1.37
TPSA51.73 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethylhexan-1-ol;hydrate 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-ethylhexan-1-ol;hydrate?
The IUPAC name of 2-ethylhexan-1-ol;hydrate (CID 21299410) is 2-ethylhexan-1-ol;hydrate.
What is the SMILES notation for 2-ethylhexan-1-ol;hydrate?
The canonical SMILES for 2-ethylhexan-1-ol;hydrate is CCCCC(CC)CO.O.
What is the InChIKey of 2-ethylhexan-1-ol;hydrate?
The InChIKey is QFCCFXKCPXSXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.H2O/c1-3-5-6-8(4-2)7-9;/h8-9H,3-7H2,1-2H3;1H2.
What are the key properties of 2-ethylhexan-1-ol;hydrate?
2-ethylhexan-1-ol;hydrate has a molecular weight of 148.25 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexan-1-ol;hydrate is sourced from PubChem (CID 21299410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).