(1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate

C15H22O3 — CID 70172973

IUPAC(1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCCC1(OC(=O)C2C(C)(C)C2(C)C)C=CC(=O)C1
InChIInChI=1S/C15H22O3/c1-6-15(8-7-10(16)9-15)18-12(17)11-13(2,3)14(11,4)5/h7-8,11H,6,9H2,1-5H3
InChIKeyACSIJORPAWAQKB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.89
Rot. Bonds3

About (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate

(1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 70172973) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID70172973
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCCC1(OC(=O)C2C(C)(C)C2(C)C)C=CC(=O)C1
InChIInChI=1S/C15H22O3/c1-6-15(8-7-10(16)9-15)18-12(17)11-13(2,3)14(11,4)5/h7-8,11H,6,9H2,1-5H3
InChIKeyACSIJORPAWAQKB-UHFFFAOYSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 70172973) is (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate is CCC1(OC(=O)C2C(C)(C)C2(C)C)C=CC(=O)C1.
What is the InChIKey of (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is ACSIJORPAWAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-6-15(8-7-10(16)9-15)18-12(17)11-13(2,3)14(11,4)5/h7-8,11H,6,9H2,1-5H3.
What are the key properties of (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
(1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 70172973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).