methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate

C9H14O5 — CID 567155

IUPACmethyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate
SMILESCOC(=O)C1C(C)C(=O)OC1(C)OC
InChIInChI=1S/C9H14O5/c1-5-6(8(11)12-3)9(2,13-4)14-7(5)10/h5-6H,1-4H3
InChIKeyWEYKQRPVNYFDDZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.33
Rot. Bonds2

About methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate

methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate (PubChem CID 567155) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate
PubChem CID567155
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Namemethyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate
SMILESCOC(=O)C1C(C)C(=O)OC1(C)OC
InChIInChI=1S/C9H14O5/c1-5-6(8(11)12-3)9(2,13-4)14-7(5)10/h5-6H,1-4H3
InChIKeyWEYKQRPVNYFDDZ-UHFFFAOYSA-N
XLogP0.33
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Botryodiplodin acetate
CID 76333595
Diethyl 2,2-dimethyl-5-oxooxolane-3,4-dicarboxylate
CID 2942204
Methyl 2,2-dimethyl-5-oxooxolane-3-carboxylate
CID 12745784
methyl (2S,3S,5R)-5-methoxy-2,5-dimethyloxolane-3-carboxylate
CID 134900732
5-Ethoxy-3-(methoxymethyl)-5-methyloxolan-2-one
CID 162400111
(3S)-2,2-dimethyl-5-oxooxolane-3-carboxylate
CID 6931351
3-(2-Methyl-1,3-dioxolan-2-yl)oxolane-2,5-dione
CID 289586
Ethyl 2,2-dimethyl-5-oxooxolane-3-carboxylate
CID 12694782
2-(2,5-Dioxooxolan-3-yl)propan-2-yl 2-methylbutanoate
CID 23561923
methyl (2S)-2-[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]butanoate
CID 57003809
Methyl 2-methoxy-5-methyloxolane-3-carboxylate
CID 58282806
3-Ethyl-4-[1-(oxomethoxy)ethyl]oxolane-2,5-dione;rutherfordium
CID 58825971

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate?
The IUPAC name of methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate (CID 567155) is methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate is COC(=O)C1C(C)C(=O)OC1(C)OC.
What is the InChIKey of methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate?
The InChIKey is WEYKQRPVNYFDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-5-6(8(11)12-3)9(2,13-4)14-7(5)10/h5-6H,1-4H3.
What are the key properties of methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate?
methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate has a molecular weight of 202.21 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-2,4-dimethyl-5-oxooxolane-3-carboxylate is sourced from PubChem (CID 567155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).