3-ethyl-5-(2-methoxyethyl)oxolan-2-one

C9H16O3 — CID 91406082

IUPAC3-ethyl-5-(2-methoxyethyl)oxolan-2-one
SMILESCCC1CC(CCOC)OC1=O
InChIInChI=1S/C9H16O3/c1-3-7-6-8(4-5-11-2)12-9(7)10/h7-8H,3-6H2,1-2H3
InChIKeyZYKSRYCTCGJMSQ-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds4

About 3-ethyl-5-(2-methoxyethyl)oxolan-2-one

3-ethyl-5-(2-methoxyethyl)oxolan-2-one (PubChem CID 91406082) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-ethyl-5-(2-methoxyethyl)oxolan-2-one.

Molecular Properties

Compound Name3-ethyl-5-(2-methoxyethyl)oxolan-2-one
PubChem CID91406082
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-ethyl-5-(2-methoxyethyl)oxolan-2-one
SMILESCCC1CC(CCOC)OC1=O
InChIInChI=1S/C9H16O3/c1-3-7-6-8(4-5-11-2)12-9(7)10/h7-8H,3-6H2,1-2H3
InChIKeyZYKSRYCTCGJMSQ-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-3,6-diethyloxan-2-one
CID 129383113
5-(2-methoxyethyl)-1,3-oxazolidin-2-one
CID 117158748
(3S,5S)-5-decyl-3-(2-hydroxyethyl)oxolan-2-one
CID 162927277
5-(1,2-dihydroxyethyl)-3-ethyloxolan-2-one
CID 68573722
3-(2-methoxyethyl)oxolane-2,5-dione
CID 13255588
(3S)-3-amino-5-butyloxolan-2-one
CID 23562305
(3S,5S)-3-amino-5-butyloxolan-2-one
CID 45082203
(3R,5S)-3-heptyl-5-(iodomethyl)oxolan-2-one
CID 10990947
methyl 2-oxo-5-propyloxolane-3-carboxylate
CID 23093354
3-(2-methoxyethyl)-1,4-dioxane-2,5-dione
CID 123854269
(3S,5R)-5-ethyl-2-oxooxolane-3-carbaldehyde
CID 45083464
3-(2,2-diphenylethyl)-5-ethyloxolan-2-one
CID 150618928

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-methoxyethyl)oxolan-2-one?
The IUPAC name of 3-ethyl-5-(2-methoxyethyl)oxolan-2-one (CID 91406082) is 3-ethyl-5-(2-methoxyethyl)oxolan-2-one.
What is the SMILES notation for 3-ethyl-5-(2-methoxyethyl)oxolan-2-one?
The canonical SMILES for 3-ethyl-5-(2-methoxyethyl)oxolan-2-one is CCC1CC(CCOC)OC1=O.
What is the InChIKey of 3-ethyl-5-(2-methoxyethyl)oxolan-2-one?
The InChIKey is ZYKSRYCTCGJMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-7-6-8(4-5-11-2)12-9(7)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-5-(2-methoxyethyl)oxolan-2-one?
3-ethyl-5-(2-methoxyethyl)oxolan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-methoxyethyl)oxolan-2-one is sourced from PubChem (CID 91406082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).