methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate

C9H14O4 — CID 18725787

IUPACmethyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2(C)OCCO2)CC1
InChIInChI=1S/C9H14O4/c1-8(12-5-6-13-8)9(3-4-9)7(10)11-2/h3-6H2,1-2H3
InChIKeyGXTOYOQSOMLOOK-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.70
Rot. Bonds2

About methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate

methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate (PubChem CID 18725787) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate
PubChem CID18725787
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Namemethyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2(C)OCCO2)CC1
InChIInChI=1S/C9H14O4/c1-8(12-5-6-13-8)9(3-4-9)7(10)11-2/h3-6H2,1-2H3
InChIKeyGXTOYOQSOMLOOK-UHFFFAOYSA-N
XLogP0.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate (CID 18725787) is methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(C2(C)OCCO2)CC1.
What is the InChIKey of methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate?
The InChIKey is GXTOYOQSOMLOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-8(12-5-6-13-8)9(3-4-9)7(10)11-2/h3-6H2,1-2H3.
What are the key properties of methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate?
methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate has a molecular weight of 186.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methyl-1,3-dioxolan-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 18725787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).