2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate

C13H20O4 — CID 118199278

IUPAC2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate
SMILESCC(COC(=O)C1CC1C)OC(=O)C1CC1C
InChIInChI=1S/C13H20O4/c1-7-4-10(7)12(14)16-6-9(3)17-13(15)11-5-8(11)2/h7-11H,4-6H2,1-3H3
InChIKeyBVVXXDSCAYWEKQ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.77
Rot. Bonds5

About 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate

2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate (PubChem CID 118199278) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate
PubChem CID118199278
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate
SMILESCC(COC(=O)C1CC1C)OC(=O)C1CC1C
InChIInChI=1S/C13H20O4/c1-7-4-10(7)12(14)16-6-9(3)17-13(15)11-5-8(11)2/h7-11H,4-6H2,1-3H3
InChIKeyBVVXXDSCAYWEKQ-UHFFFAOYSA-N
XLogP1.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate?
The IUPAC name of 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate (CID 118199278) is 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate is CC(COC(=O)C1CC1C)OC(=O)C1CC1C.
What is the InChIKey of 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate?
The InChIKey is BVVXXDSCAYWEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-7-4-10(7)12(14)16-6-9(3)17-13(15)11-5-8(11)2/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate?
2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 118199278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).