ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate

C10H16O4 — CID 21037703

IUPACethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate
SMILESCCOC(=O)C(C)CC1CCC(=O)O1
InChIInChI=1S/C10H16O4/c1-3-13-10(12)7(2)6-8-4-5-9(11)14-8/h7-8H,3-6H2,1-2H3
InChIKeyCYFHVLFDTXZPKD-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.28
Rot. Bonds4

About ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate

ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate (PubChem CID 21037703) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate
PubChem CID21037703
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate
SMILESCCOC(=O)C(C)CC1CCC(=O)O1
InChIInChI=1S/C10H16O4/c1-3-13-10(12)7(2)6-8-4-5-9(11)14-8/h7-8H,3-6H2,1-2H3
InChIKeyCYFHVLFDTXZPKD-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(2R)-5-oxooxolan-2-yl]propanoate
CID 13482645
4-methyl-5-(5-oxooxolan-2-yl)pentanoic acid
CID 58663282
(5R)-5-[(2R)-3-hydroxy-2-methoxypropyl]oxolan-2-one
CID 23238602
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 3-methyl-2-[[(2R)-5-oxooxolane-2-carbonyl]amino]butanoate
CID 110192642
ethyl 2-[(2R)-6-oxooxan-2-yl]acetate
CID 102379302
5-(2,2-difluoroethyl)oxolan-2-one
CID 67256277
(5R)-5-butyloxolan-2-one
CID 7057971
ethane;5-(hydroxymethyl)oxolan-2-one
CID 142985862
ethyl 2-methyl-3-(2-oxocyclohexyl)propanoate;methane;methyl 2-methyl-3-(2-oxocyclohexyl)propanoate
CID 160583363
6-(2,4-dihydroxypentyl)oxan-2-one
CID 162814553
5-(hydroxymethyl)oxolan-2-one
CID 158931038

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate?
The IUPAC name of ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate (CID 21037703) is ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate.
What is the SMILES notation for ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate?
The canonical SMILES for ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate is CCOC(=O)C(C)CC1CCC(=O)O1.
What is the InChIKey of ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate?
The InChIKey is CYFHVLFDTXZPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-13-10(12)7(2)6-8-4-5-9(11)14-8/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate?
ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate has a molecular weight of 200.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-(5-oxooxolan-2-yl)propanoate is sourced from PubChem (CID 21037703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).