diethyl 2-propylcyclopropane-1,1-dicarboxylate

C12H20O4 — CID 14811904

IUPACdiethyl 2-propylcyclopropane-1,1-dicarboxylate
SMILESCCCC1CC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C12H20O4/c1-4-7-9-8-12(9,10(13)15-5-2)11(14)16-6-3/h9H,4-8H2,1-3H3
InChIKeyFFUSAWHMLZTBMS-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.92
Rot. Bonds6

About diethyl 2-propylcyclopropane-1,1-dicarboxylate

diethyl 2-propylcyclopropane-1,1-dicarboxylate (PubChem CID 14811904) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is diethyl 2-propylcyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-propylcyclopropane-1,1-dicarboxylate
PubChem CID14811904
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Namediethyl 2-propylcyclopropane-1,1-dicarboxylate
SMILESCCCC1CC1(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C12H20O4/c1-4-7-9-8-12(9,10(13)15-5-2)11(14)16-6-3/h9H,4-8H2,1-3H3
InChIKeyFFUSAWHMLZTBMS-UHFFFAOYSA-N
XLogP1.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.92
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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Related Compounds

diethyl (2S)-2-heptylcyclopropane-1,1-dicarboxylate
CID 68664186
diethyl 2-(bromomethyl)cyclopropane-1,1-dicarboxylate
CID 12740750
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 1-acetyl-4-methyl-6-propylcyclohex-3-ene-1-carboxylate
CID 3019437
diethyl (2R)-2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 99998367
diethyl 2-methylsulfonylcyclopropane-1,1-dicarboxylate
CID 102568908
diethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1,1-dicarboxylate
CID 10946695
ethyl 1-cyano-3-propylcyclobutane-1-carboxylate
CID 79559745
ethyl (1S,3R,4S)-2,2-difluoro-3-propylbicyclo[2.1.0]pentane-1-carboxylate
CID 102002530
ethyl 3-iodo-1-methoxycyclobutane-1-carboxylate
CID 130422583
(1-amino-2-propylcyclopropyl) acetate
CID 174614626
ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate
CID 12035454

Frequently Asked Questions

What is the IUPAC name of diethyl 2-propylcyclopropane-1,1-dicarboxylate?
The IUPAC name of diethyl 2-propylcyclopropane-1,1-dicarboxylate (CID 14811904) is diethyl 2-propylcyclopropane-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-propylcyclopropane-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-propylcyclopropane-1,1-dicarboxylate is CCCC1CC1(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-propylcyclopropane-1,1-dicarboxylate?
The InChIKey is FFUSAWHMLZTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-4-7-9-8-12(9,10(13)15-5-2)11(14)16-6-3/h9H,4-8H2,1-3H3.
What are the key properties of diethyl 2-propylcyclopropane-1,1-dicarboxylate?
diethyl 2-propylcyclopropane-1,1-dicarboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-propylcyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 14811904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).