2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane

C14H24O2 — CID 176943947

IUPAC2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane
SMILESCC1=C(C2CC2(C)C)C(=O)CC1.CCOC
InChIInChI=1S/C11H16O.C3H8O/c1-7-4-5-9(12)10(7)8-6-11(8,2)3;1-3-4-2/h8H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyMLVLJLQTRVZLHD-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.36
Rot. Bonds2

About 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane

2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane (PubChem CID 176943947) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane.

Molecular Properties

Compound Name2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane
PubChem CID176943947
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane
SMILESCC1=C(C2CC2(C)C)C(=O)CC1.CCOC
InChIInChI=1S/C11H16O.C3H8O/c1-7-4-5-9(12)10(7)8-6-11(8,2)3;1-3-4-2/h8H,4-6H2,1-3H3;3H2,1-2H3
InChIKeyMLVLJLQTRVZLHD-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hex-2-enyl-2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one
CID 169179056
ethyl (1S,2S,8aS)-1,2,5-trimethyl-4-oxo-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylate
CID 11207788
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
methyl (1R)-3-(N-ethoxy-C-ethylcarbonimidoyl)-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 135909127
ethyl 2,2-dimethyl-5-oxocyclopentane-1-carboxylate
CID 67339971
(7aR)-3,6,6-trimethyl-4-oxo-2,5,7,7a-tetrahydroindene-1,1-dicarbonitrile
CID 135004904
methyl 3-(N-ethoxy-C-propylcarbonimidoyl)-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 150729161
2-(diethylamino)-3-methylcyclopent-2-en-1-one
CID 18185991
diethyl (3aR)-6-(methoxymethyl)-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 135068520
bis(2,3-dimethylcyclopent-2-en-1-one);methane
CID 157136451
(1S,6R)-1-methoxy-5,5-dimethylbicyclo[4.1.0]heptan-2-one
CID 130949681
methyl (1S)-3-(N-butyl-C-methylcarbonimidoyl)-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 136829070

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane?
The IUPAC name of 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane (CID 176943947) is 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane.
What is the SMILES notation for 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane?
The canonical SMILES for 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane is CC1=C(C2CC2(C)C)C(=O)CC1.CCOC.
What is the InChIKey of 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane?
The InChIKey is MLVLJLQTRVZLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C3H8O/c1-7-4-5-9(12)10(7)8-6-11(8,2)3;1-3-4-2/h8H,4-6H2,1-3H3;3H2,1-2H3.
What are the key properties of 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane?
2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane has a molecular weight of 224.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclopropyl)-3-methylcyclopent-2-en-1-one;methoxyethane is sourced from PubChem (CID 176943947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).