methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate

C9H16O4 — CID 165353445

IUPACmethyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate
SMILESCOC(=O)C1CC(C)(C)OC1OC
InChIInChI=1S/C9H16O4/c1-9(2)5-6(7(10)11-3)8(12-4)13-9/h6,8H,5H2,1-4H3
InChIKeyKVBUMOXDZCHNRW-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.95
Rot. Bonds2

About methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate

methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate (PubChem CID 165353445) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate
PubChem CID165353445
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate
SMILESCOC(=O)C1CC(C)(C)OC1OC
InChIInChI=1S/C9H16O4/c1-9(2)5-6(7(10)11-3)8(12-4)13-9/h6,8H,5H2,1-4H3
InChIKeyKVBUMOXDZCHNRW-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl (2S,3S,5S)-2,5-dimethoxyoxolane-3-carboxylate
CID 99373377
methyl 1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylate
CID 3367709
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
[(3S)-3,5,5-trimethyloxolan-2-yl] acetate
CID 100974772
2-hydroxy-5,5-dimethyloxolane-3-carboxylic acid
CID 154982898
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
methyl 4-aminobicyclo[2.1.1]hexane-2-carboxylate
CID 167717146
methyl 2-oxaspiro[3.3]heptane-6-carboxylate
CID 135392775
methyl (2R,5R)-2,5-dimethyloxolane-3-carboxylate
CID 121226767

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate?
The IUPAC name of methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate (CID 165353445) is methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate is COC(=O)C1CC(C)(C)OC1OC.
What is the InChIKey of methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate?
The InChIKey is KVBUMOXDZCHNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-9(2)5-6(7(10)11-3)8(12-4)13-9/h6,8H,5H2,1-4H3.
What are the key properties of methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate?
methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate has a molecular weight of 188.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5,5-dimethyloxolane-3-carboxylate is sourced from PubChem (CID 165353445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).