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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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).