diethyl 2-cyclopropylpropanedioate

C10H16O4 — CID 12704408

IUPACdiethyl 2-cyclopropylpropanedioate
SMILESCCOC(=O)C(C(=O)OCC)C1CC1
InChIInChI=1S/C10H16O4/c1-3-13-9(11)8(7-5-6-7)10(12)14-4-2/h7-8H,3-6H2,1-2H3
InChIKeyYWONUDUUMCJFPN-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.14
Rot. Bonds5

About diethyl 2-cyclopropylpropanedioate

diethyl 2-cyclopropylpropanedioate (PubChem CID 12704408) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is diethyl 2-cyclopropylpropanedioate.

Molecular Properties

Compound Namediethyl 2-cyclopropylpropanedioate
PubChem CID12704408
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namediethyl 2-cyclopropylpropanedioate
SMILESCCOC(=O)C(C(=O)OCC)C1CC1
InChIInChI=1S/C10H16O4/c1-3-13-9(11)8(7-5-6-7)10(12)14-4-2/h7-8H,3-6H2,1-2H3
InChIKeyYWONUDUUMCJFPN-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-cyclopropylpropanedioate?
The IUPAC name of diethyl 2-cyclopropylpropanedioate (CID 12704408) is diethyl 2-cyclopropylpropanedioate.
What is the SMILES notation for diethyl 2-cyclopropylpropanedioate?
The canonical SMILES for diethyl 2-cyclopropylpropanedioate is CCOC(=O)C(C(=O)OCC)C1CC1.
What is the InChIKey of diethyl 2-cyclopropylpropanedioate?
The InChIKey is YWONUDUUMCJFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-13-9(11)8(7-5-6-7)10(12)14-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of diethyl 2-cyclopropylpropanedioate?
diethyl 2-cyclopropylpropanedioate has a molecular weight of 200.23 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-cyclopropylpropanedioate is sourced from PubChem (CID 12704408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).