methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate

C10H16O4 — CID 71521826

IUPACmethyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate
SMILESCOC(=O)CCC1CC(=O)OC1(C)C
InChIInChI=1S/C10H16O4/c1-10(2)7(6-9(12)14-10)4-5-8(11)13-3/h7H,4-6H2,1-3H3
InChIKeyXEJOYWPDWOTPGE-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.28
Rot. Bonds3

About methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate

methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate (PubChem CID 71521826) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate
PubChem CID71521826
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate
SMILESCOC(=O)CCC1CC(=O)OC1(C)C
InChIInChI=1S/C10H16O4/c1-10(2)7(6-9(12)14-10)4-5-8(11)13-3/h7H,4-6H2,1-3H3
InChIKeyXEJOYWPDWOTPGE-UHFFFAOYSA-N
XLogP1.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

(5,5-Dimethyl-2-oxooxolan-3-yl)acetic acid
CID 3142067
Ethyl 2-(2,2,5,5-tetramethyloxolan-3-yl)acetate
CID 75478875
2-(5,5-Dimethyloxolan-3-yl)acetic acid
CID 131098872
3-(2,2-Dimethyl-5-oxooxolan-3-yl)propanoic acid
CID 71521827
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]acetic acid
CID 740831
[(2Rs,4r)-tetrahydro-4-isopropyl-5-oxofuran-2-yl]methyl acetate
CID 45140870
Ethyl 5-ethoxy-2,5-dimethylhexanoate
CID 134916705
ethyl 4-[(2R,3S)-2,3-dimethyl-5-oxooxolan-2-yl]butanoate
CID 134919074
Propyl 2,5-dimethyl-5-propoxyhexanoate
CID 134988308
Methyl 5-methoxy-2,5-dimethylhexanoate
CID 134988427
Ethyl 2-(2,2-dimethyloxan-4-yl)propanoate
CID 135038837
2-Fluoro-2-(2,2,5,5-tetramethyloxolan-3-yl)acetic acid
CID 81357963

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate?
The IUPAC name of methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate (CID 71521826) is methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate.
What is the SMILES notation for methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate?
The canonical SMILES for methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate is COC(=O)CCC1CC(=O)OC1(C)C.
What is the InChIKey of methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate?
The InChIKey is XEJOYWPDWOTPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-10(2)7(6-9(12)14-10)4-5-8(11)13-3/h7H,4-6H2,1-3H3.
What are the key properties of methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate?
methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate has a molecular weight of 200.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-dimethyl-5-oxooxolan-3-yl)propanoate is sourced from PubChem (CID 71521826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).