2-ethyl-2-(hydroxymethyl)pentane-1,3-diol

C8H18O3 — CID 19904408

IUPAC2-ethyl-2-(hydroxymethyl)pentane-1,3-diol
SMILESCCC(O)C(CC)(CO)CO
InChIInChI=1S/C8H18O3/c1-3-7(11)8(4-2,5-9)6-10/h7,9-11H,3-6H2,1-2H3
InChIKeyOHIBWKQNEBFVBY-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.14
Rot. Bonds5

About 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol

2-ethyl-2-(hydroxymethyl)pentane-1,3-diol (PubChem CID 19904408) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)pentane-1,3-diol
PubChem CID19904408
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Name2-ethyl-2-(hydroxymethyl)pentane-1,3-diol
SMILESCCC(O)C(CC)(CO)CO
InChIInChI=1S/C8H18O3/c1-3-7(11)8(4-2,5-9)6-10/h7,9-11H,3-6H2,1-2H3
InChIKeyOHIBWKQNEBFVBY-UHFFFAOYSA-N
XLogP0.14
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol 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-ethyl-2-(hydroxymethyl)pentane-1,3-diol?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol (CID 19904408) is 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol is CCC(O)C(CC)(CO)CO.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol?
The InChIKey is OHIBWKQNEBFVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3/c1-3-7(11)8(4-2,5-9)6-10/h7,9-11H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol?
2-ethyl-2-(hydroxymethyl)pentane-1,3-diol has a molecular weight of 162.23 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)pentane-1,3-diol is sourced from PubChem (CID 19904408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).