methyl 2-methoxyoxolane-2-carboxylate

C7H12O4 — CID 86060658

IUPACmethyl 2-methoxyoxolane-2-carboxylate
SMILESCOC(=O)C1(OC)CCCO1
InChIInChI=1S/C7H12O4/c1-9-6(8)7(10-2)4-3-5-11-7/h3-5H2,1-2H3
InChIKeyZXOBWLQGDKUFOC-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.31
Rot. Bonds2

About methyl 2-methoxyoxolane-2-carboxylate

methyl 2-methoxyoxolane-2-carboxylate (PubChem CID 86060658) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl 2-methoxyoxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxyoxolane-2-carboxylate
PubChem CID86060658
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Namemethyl 2-methoxyoxolane-2-carboxylate
SMILESCOC(=O)C1(OC)CCCO1
InChIInChI=1S/C7H12O4/c1-9-6(8)7(10-2)4-3-5-11-7/h3-5H2,1-2H3
InChIKeyZXOBWLQGDKUFOC-UHFFFAOYSA-N
XLogP0.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
CID 161258796
methyl 2-phenyloxolane-2-carboxylate
CID 164680656
methyl (2R)-2-phenyloxolane-2-carboxylate
CID 167251855
methyl (2-methyloxolan-2-yl) carbonate
CID 139836783
methyl 2-chloro-1-oxaspiro[2.5]octane-2-carboxylate
CID 103354902
methyl (2S)-2-(2-methoxycarbonylprop-2-enyl)oxolane-2-carboxylate
CID 100934695
methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]oxolane-2-carboxylate
CID 134367700
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 2-iodo-1,3-dioxolane-2-carboxylate
CID 146529890
methyl 1-(1-hydroxycyclopentyl)cyclohexane-1-carboxylate
CID 10059596
dimethyl 2-methoxyoxane-2,3-dicarboxylate
CID 156770328
tetrakis(cyclohexane);methyl acetate
CID 159246653

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxyoxolane-2-carboxylate?
The IUPAC name of methyl 2-methoxyoxolane-2-carboxylate (CID 86060658) is methyl 2-methoxyoxolane-2-carboxylate.
What is the SMILES notation for methyl 2-methoxyoxolane-2-carboxylate?
The canonical SMILES for methyl 2-methoxyoxolane-2-carboxylate is COC(=O)C1(OC)CCCO1.
What is the InChIKey of methyl 2-methoxyoxolane-2-carboxylate?
The InChIKey is ZXOBWLQGDKUFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-9-6(8)7(10-2)4-3-5-11-7/h3-5H2,1-2H3.
What are the key properties of methyl 2-methoxyoxolane-2-carboxylate?
methyl 2-methoxyoxolane-2-carboxylate has a molecular weight of 160.17 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxyoxolane-2-carboxylate is sourced from PubChem (CID 86060658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).