3-ethyl-4-(hydroxymethyl)oxolan-2-one

C7H12O3 — CID 73102157

IUPAC3-ethyl-4-(hydroxymethyl)oxolan-2-one
SMILESCCC1C(=O)OCC1CO
InChIInChI=1S/C7H12O3/c1-2-6-5(3-8)4-10-7(6)9/h5-6,8H,2-4H2,1H3
InChIKeyFFOVQXMIXPSZQT-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.18
Rot. Bonds2

About 3-ethyl-4-(hydroxymethyl)oxolan-2-one

3-ethyl-4-(hydroxymethyl)oxolan-2-one (PubChem CID 73102157) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-ethyl-4-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3-ethyl-4-(hydroxymethyl)oxolan-2-one
PubChem CID73102157
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-ethyl-4-(hydroxymethyl)oxolan-2-one
SMILESCCC1C(=O)OCC1CO
InChIInChI=1S/C7H12O3/c1-2-6-5(3-8)4-10-7(6)9/h5-6,8H,2-4H2,1H3
InChIKeyFFOVQXMIXPSZQT-UHFFFAOYSA-N
XLogP0.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(hydroxymethyl)oxolan-2-one?
The IUPAC name of 3-ethyl-4-(hydroxymethyl)oxolan-2-one (CID 73102157) is 3-ethyl-4-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for 3-ethyl-4-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for 3-ethyl-4-(hydroxymethyl)oxolan-2-one is CCC1C(=O)OCC1CO.
What is the InChIKey of 3-ethyl-4-(hydroxymethyl)oxolan-2-one?
The InChIKey is FFOVQXMIXPSZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-6-5(3-8)4-10-7(6)9/h5-6,8H,2-4H2,1H3.
What are the key properties of 3-ethyl-4-(hydroxymethyl)oxolan-2-one?
3-ethyl-4-(hydroxymethyl)oxolan-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 73102157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).