dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate

C11H16O6 — CID 10800309

IUPACdimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(C)C1C1OCCO1
InChIInChI=1S/C11H16O6/c1-6-7(8-16-4-5-17-8)11(6,9(12)14-2)10(13)15-3/h6-8H,4-5H2,1-3H3
InChIKeyHPIBHJDRSOWXCX-UHFFFAOYSA-N
MW244.24 g/mol
LogP-0.04
Rot. Bonds3

About dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate

dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate (PubChem CID 10800309) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate
PubChem CID10800309
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Namedimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C(C)C1C1OCCO1
InChIInChI=1S/C11H16O6/c1-6-7(8-16-4-5-17-8)11(6,9(12)14-2)10(13)15-3/h6-8H,4-5H2,1-3H3
InChIKeyHPIBHJDRSOWXCX-UHFFFAOYSA-N
XLogP-0.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate (CID 10800309) is dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C(C)C1C1OCCO1.
What is the InChIKey of dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate?
The InChIKey is HPIBHJDRSOWXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-6-7(8-16-4-5-17-8)11(6,9(12)14-2)10(13)15-3/h6-8H,4-5H2,1-3H3.
What are the key properties of dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate?
dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate has a molecular weight of 244.24 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(1,3-dioxolan-2-yl)-3-methylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 10800309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).