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

C14H20O3 — CID 151335011

IUPAC(3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1=CC(OC(=O)C2C(C)(C)C2(C)C)CC1=O
InChIInChI=1S/C14H20O3/c1-8-6-9(7-10(8)15)17-12(16)11-13(2,3)14(11,4)5/h6,9,11H,7H2,1-5H3
InChIKeyOJGFODKZZYBHGU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.50
Rot. Bonds2

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

(3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate (PubChem CID 151335011) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name(3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
PubChem CID151335011
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name(3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate
SMILESCC1=CC(OC(=O)C2C(C)(C)C2(C)C)CC1=O
InChIInChI=1S/C14H20O3/c1-8-6-9(7-10(8)15)17-12(16)11-13(2,3)14(11,4)5/h6,9,11H,7H2,1-5H3
InChIKeyOJGFODKZZYBHGU-UHFFFAOYSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Allethrins
CID 11442
Pyrethrin II
CID 5281555
Prallethrin
CID 9839306
Pyrethrin I
CID 5281045
Bioallethrin
CID 15558638
Cinerin I
CID 5281547
S-Bioallethrin
CID 62829
cinerin II
CID 5281548
Jasmolin I
CID 12304687
Jasmolin II
CID 12304690
(-)-trans-(S)-allethrin
CID 908624
[(1R)-2-Methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 16403316

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The IUPAC name of (3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate (CID 151335011) is (3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate.
What is the SMILES notation for (3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The canonical SMILES for (3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate is CC1=CC(OC(=O)C2C(C)(C)C2(C)C)CC1=O.
What is the InChIKey of (3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
The InChIKey is OJGFODKZZYBHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-8-6-9(7-10(8)15)17-12(16)11-13(2,3)14(11,4)5/h6,9,11H,7H2,1-5H3.
What are the key properties of (3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate?
(3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-oxocyclopent-2-en-1-yl) 2,2,3,3-tetramethylcyclopropane-1-carboxylate is sourced from PubChem (CID 151335011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).