2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane

C15H32O6 — CID 157089919

IUPAC2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane
SMILESC1COC1.CCC(CO)(CO)CO.CCC1(CO)COC1
InChIInChI=1S/C6H14O3.C6H12O2.C3H6O/c1-2-6(3-7,4-8)5-9;1-2-6(3-7)4-8-5-6;1-2-4-3-1/h7-9H,2-5H2,1H3;7H,2-5H2,1H3;1-3H2
InChIKeyAENVAJDZRFZOIK-UHFFFAOYSA-N
MW308.42 g/mol
LogP0.17
Rot. Bonds6

About 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane

2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane (PubChem CID 157089919) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane.

Molecular Properties

Compound Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane
PubChem CID157089919
Molecular FormulaC15H32O6
Molecular Weight308.42 g/mol
Exact Mass308.22
IUPAC Name2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane
SMILESC1COC1.CCC(CO)(CO)CO.CCC1(CO)COC1
InChIInChI=1S/C6H14O3.C6H12O2.C3H6O/c1-2-6(3-7,4-8)5-9;1-2-6(3-7)4-8-5-6;1-2-4-3-1/h7-9H,2-5H2,1H3;7H,2-5H2,1H3;1-3H2
InChIKeyAENVAJDZRFZOIK-UHFFFAOYSA-N
XLogP0.17
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 50.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane 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)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane?
The IUPAC name of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane (CID 157089919) is 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane.
What is the SMILES notation for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane?
The canonical SMILES for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane is C1COC1.CCC(CO)(CO)CO.CCC1(CO)COC1.
What is the InChIKey of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane?
The InChIKey is AENVAJDZRFZOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C6H12O2.C3H6O/c1-2-6(3-7,4-8)5-9;1-2-6(3-7)4-8-5-6;1-2-4-3-1/h7-9H,2-5H2,1H3;7H,2-5H2,1H3;1-3H2.
What are the key properties of 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane?
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane has a molecular weight of 308.42 g/mol, XLogP of 0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hydroxymethyl)propane-1,3-diol;(3-ethyloxetan-3-yl)methanol;oxetane is sourced from PubChem (CID 157089919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).