ethyl 2-(2-methyloxolan-3-yl)acetate

C9H16O3 — CID 118541290

IUPACethyl 2-(2-methyloxolan-3-yl)acetate
SMILESCCOC(=O)CC1CCOC1C
InChIInChI=1S/C9H16O3/c1-3-11-9(10)6-8-4-5-12-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyLWEAPCZLVXPMNI-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds3

About ethyl 2-(2-methyloxolan-3-yl)acetate

ethyl 2-(2-methyloxolan-3-yl)acetate (PubChem CID 118541290) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl 2-(2-methyloxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-methyloxolan-3-yl)acetate
PubChem CID118541290
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl 2-(2-methyloxolan-3-yl)acetate
SMILESCCOC(=O)CC1CCOC1C
InChIInChI=1S/C9H16O3/c1-3-11-9(10)6-8-4-5-12-7(8)2/h7-8H,3-6H2,1-2H3
InChIKeyLWEAPCZLVXPMNI-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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

ethyl 2-[(2R,3S)-2-ethoxyoxolan-3-yl]acetate
CID 97035691
ethyl 2-(2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl)acetate
CID 118544513
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
ethyl 2-[(1R,2S)-2-hydroxy-3-methylcyclobutyl]acetate
CID 100980301
ethyl 3-[(2R,3R)-2-methoxyoxolan-3-yl]propanoate
CID 45094642
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
ethyl 2-[(3S,4R)-4-(2-ethoxy-2-oxoethyl)-1,1-dioxothiolan-3-yl]acetate
CID 1382306
ethyl 2-(2-fluoro-5-methylcyclohexyl)acetate
CID 174843996
ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate
CID 82769885
(2-ethoxy-2-oxoethyl) 2-(oxolan-2-yl)acetate
CID 78876031
ethyl 2-(5,5-dimethyloxepan-2-yl)acetate
CID 134975696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyloxolan-3-yl)acetate?
The IUPAC name of ethyl 2-(2-methyloxolan-3-yl)acetate (CID 118541290) is ethyl 2-(2-methyloxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-methyloxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-methyloxolan-3-yl)acetate is CCOC(=O)CC1CCOC1C.
What is the InChIKey of ethyl 2-(2-methyloxolan-3-yl)acetate?
The InChIKey is LWEAPCZLVXPMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-11-9(10)6-8-4-5-12-7(8)2/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-methyloxolan-3-yl)acetate?
ethyl 2-(2-methyloxolan-3-yl)acetate has a molecular weight of 172.22 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyloxolan-3-yl)acetate is sourced from PubChem (CID 118541290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).