methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate

C12H20O5 — CID 543794

IUPACmethyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate
SMILESCOC(=O)C(C)C1CCC(C)C(C(=O)OC)O1
InChIInChI=1S/C12H20O5/c1-7-5-6-9(8(2)11(13)15-3)17-10(7)12(14)16-4/h7-10H,5-6H2,1-4H3
InChIKeyOPQJOQRWDXPFSO-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.15
Rot. Bonds3

About methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate

methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate (PubChem CID 543794) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate
PubChem CID543794
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namemethyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate
SMILESCOC(=O)C(C)C1CCC(C)C(C(=O)OC)O1
InChIInChI=1S/C12H20O5/c1-7-5-6-9(8(2)11(13)15-3)17-10(7)12(14)16-4/h7-10H,5-6H2,1-4H3
InChIKeyOPQJOQRWDXPFSO-UHFFFAOYSA-N
XLogP1.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1-oxaspiro[2.5]octane-2-carboxylate
CID 95588
Methyl 1-oxaspiro(2.5)octane-2-carboxylate
CID 304172
1-Oxaspiro[2.5]octane-2-carboxylic acid, 2-methyl-, ethyl ester
CID 15564975
2-Oxiranecarboxylic acid, 3-methyl-3-nonyl-, ethyl ester
CID 95643
Methyl 3-methyl-2-tetradecyloxirane-2-carboxylate
CID 13706916
Ethyl 6,6-dimethyl-4-oxooxane-2-carboxylate
CID 102567624
Ethyl 2-hydroxy-2-[6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]acetate
CID 15691044
[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl] (2S,3R)-3-hydroxy-2-methyldecanoate
CID 44286211
Ethyl 3-cyclohexyloxirane-2-carboxylate
CID 148747
Ethyl 2-ethyl-1-oxaspiro(2.5)octane-2-carboxylate
CID 228850
Butyl 1-oxaspiro[2.5]octane-2-carboxylate
CID 304168
Ethyl 6-methyl-1-oxaspiro(2.5)octane-2-carboxylate
CID 10856446

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate?
The IUPAC name of methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate (CID 543794) is methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate.
What is the SMILES notation for methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate?
The canonical SMILES for methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate is COC(=O)C(C)C1CCC(C)C(C(=O)OC)O1.
What is the InChIKey of methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate?
The InChIKey is OPQJOQRWDXPFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-7-5-6-9(8(2)11(13)15-3)17-10(7)12(14)16-4/h7-10H,5-6H2,1-4H3.
What are the key properties of methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate?
methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-methoxy-1-oxopropan-2-yl)-3-methyloxane-2-carboxylate is sourced from PubChem (CID 543794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).