diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate

C10H16O5 — CID 10900039

IUPACdiethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC1CO
InChIInChI=1S/C10H16O5/c1-3-14-8(12)10(5-7(10)6-11)9(13)15-4-2/h7,11H,3-6H2,1-2H3
InChIKeyOHNIMHFLIKCRJS-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.11
Rot. Bonds5

About diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate

diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate (PubChem CID 10900039) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate
PubChem CID10900039
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namediethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)CC1CO
InChIInChI=1S/C10H16O5/c1-3-14-8(12)10(5-7(10)6-11)9(13)15-4-2/h7,11H,3-6H2,1-2H3
InChIKeyOHNIMHFLIKCRJS-UHFFFAOYSA-N
XLogP0.11
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate?
The IUPAC name of diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate (CID 10900039) is diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)CC1CO.
What is the InChIKey of diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate?
The InChIKey is OHNIMHFLIKCRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-3-14-8(12)10(5-7(10)6-11)9(13)15-4-2/h7,11H,3-6H2,1-2H3.
What are the key properties of diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate?
diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(hydroxymethyl)cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 10900039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).