diethyl 2-cyclopropylbutanedioate

C11H18O4 — CID 12768630

IUPACdiethyl 2-cyclopropylbutanedioate
SMILESCCOC(=O)CC(C(=O)OCC)C1CC1
InChIInChI=1S/C11H18O4/c1-3-14-10(12)7-9(8-5-6-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
InChIKeyXMVGCOWCTAZJNT-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.53
Rot. Bonds6

About diethyl 2-cyclopropylbutanedioate

diethyl 2-cyclopropylbutanedioate (PubChem CID 12768630) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is diethyl 2-cyclopropylbutanedioate.

Molecular Properties

Compound Namediethyl 2-cyclopropylbutanedioate
PubChem CID12768630
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namediethyl 2-cyclopropylbutanedioate
SMILESCCOC(=O)CC(C(=O)OCC)C1CC1
InChIInChI=1S/C11H18O4/c1-3-14-10(12)7-9(8-5-6-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3
InChIKeyXMVGCOWCTAZJNT-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-cyclopropylbutanedioate?
The IUPAC name of diethyl 2-cyclopropylbutanedioate (CID 12768630) is diethyl 2-cyclopropylbutanedioate.
What is the SMILES notation for diethyl 2-cyclopropylbutanedioate?
The canonical SMILES for diethyl 2-cyclopropylbutanedioate is CCOC(=O)CC(C(=O)OCC)C1CC1.
What is the InChIKey of diethyl 2-cyclopropylbutanedioate?
The InChIKey is XMVGCOWCTAZJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-14-10(12)7-9(8-5-6-8)11(13)15-4-2/h8-9H,3-7H2,1-2H3.
What are the key properties of diethyl 2-cyclopropylbutanedioate?
diethyl 2-cyclopropylbutanedioate has a molecular weight of 214.26 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-cyclopropylbutanedioate is sourced from PubChem (CID 12768630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).