5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one

C9H16O4 — CID 162400111

IUPAC5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one
SMILESCCOC1(C)CC(COC)C(=O)O1
InChIInChI=1S/C9H16O4/c1-4-12-9(2)5-7(6-11-3)8(10)13-9/h7H,4-6H2,1-3H3
InChIKeyGEFZFLXEGCWQNN-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.95
Rot. Bonds4

About 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one

5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one (PubChem CID 162400111) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one
PubChem CID162400111
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one
SMILESCCOC1(C)CC(COC)C(=O)O1
InChIInChI=1S/C9H16O4/c1-4-12-9(2)5-7(6-11-3)8(10)13-9/h7H,4-6H2,1-3H3
InChIKeyGEFZFLXEGCWQNN-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Botryosphaerilactone B
CID 44605080
Ethyl 5,5-dimethyl-2-oxooxolane-3-carboxylate
CID 278358
2-Ethoxycarbonyl-4-pentanolide
CID 13172871
Ethyl 2,2-dimethoxy-3-methylcyclopropane-1-carboxylate
CID 13419068
Ethyl 2-{1-[(ethoxycarbonyl)oxy]ethyl}pentanoate
CID 243791
Ethyl 2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)propanoate
CID 14427563
cis-ethyl (1R,3R)-2,2-dimethoxy-3-methylcyclopropane-1-carboxylate
CID 10877885
Ethyl 2,2-diethoxy-3-methylcyclopropane-1-carboxylate
CID 13419069
methyl (2S,3S)-3-acetyloxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropanoate
CID 102452517
3-Ethoxycarbonyl-4,5,5-trimethyltetrahydrofuranone
CID 129882253
5-Methoxy-3-(trimethoxymethyl)oxolan-2-one
CID 134859340
methyl (2S,3S,5R)-5-methoxy-2,5-dimethyloxolane-3-carboxylate
CID 134900732

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one?
The IUPAC name of 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one (CID 162400111) is 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one.
What is the SMILES notation for 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one?
The canonical SMILES for 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one is CCOC1(C)CC(COC)C(=O)O1.
What is the InChIKey of 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one?
The InChIKey is GEFZFLXEGCWQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-12-9(2)5-7(6-11-3)8(10)13-9/h7H,4-6H2,1-3H3.
What are the key properties of 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one?
5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one is sourced from PubChem (CID 162400111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).