methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate

C9H14O4 — CID 102304411

IUPACmethyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)CC1C
InChIInChI=1S/C9H14O4/c1-6-4-9(6,8(11)13-3)5-7(10)12-2/h6H,4-5H2,1-3H3
InChIKeyLRBCVRSWPMYFMP-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.75
Rot. Bonds3

About methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate

methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate (PubChem CID 102304411) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate
PubChem CID102304411
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namemethyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate
SMILESCOC(=O)CC1(C(=O)OC)CC1C
InChIInChI=1S/C9H14O4/c1-6-4-9(6,8(11)13-3)5-7(10)12-2/h6H,4-5H2,1-3H3
InChIKeyLRBCVRSWPMYFMP-UHFFFAOYSA-N
XLogP0.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
CID 171036863
methyl 2-[6-(2-methoxy-2-oxoethyl)-3-tetracyclo[4.2.0.02,5.03,8]octanyl]acetate
CID 71193848
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115
methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate
CID 155402586
methyl 2-[2-(1-fluoroethenyl)-2-bicyclo[2.2.2]octanyl]acetate
CID 165474612
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
methyl 2,5-dimethyl-1-(oxiran-2-ylmethyl)cyclohexane-1-carboxylate
CID 165443887
methyl 2-(2,5-dimethyl-1,3-dioxan-2-yl)acetate
CID 143088707
methyl 2-(2-azabicyclo[2.1.1]hexan-4-yl)acetate
CID 131539377
trans-dimethyl (1S,2S)-1-(bromomethyl)cyclopropane-1,2-dicarboxylate
CID 131844843
methyl 2-(1-propylcyclopropyl)acetate
CID 123587364
methyl 2-[3,4-dimethyl-1-(methylamino)cyclohexyl]acetate
CID 65236135

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate (CID 102304411) is methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate is COC(=O)CC1(C(=O)OC)CC1C.
What is the InChIKey of methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate?
The InChIKey is LRBCVRSWPMYFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-6-4-9(6,8(11)13-3)5-7(10)12-2/h6H,4-5H2,1-3H3.
What are the key properties of methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate?
methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 102304411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).