1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one

C11H18O2 — CID 23451681

IUPAC1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one
SMILESCO/C=C/C1C(CC(C)=O)C1(C)C
InChIInChI=1S/C11H18O2/c1-8(12)7-10-9(5-6-13-4)11(10,2)3/h5-6,9-10H,7H2,1-4H3/b6-5+
InChIKeyWTMAPJKBSKCSCY-AATRIKPKSA-N
MW182.26 g/mol
LogP2.40
Rot. Bonds4

About 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one

1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one (PubChem CID 23451681) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one.

Molecular Properties

Compound Name1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one
PubChem CID23451681
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one
SMILESCO/C=C/C1C(CC(C)=O)C1(C)C
InChIInChI=1S/C11H18O2/c1-8(12)7-10-9(5-6-13-4)11(10,2)3/h5-6,9-10H,7H2,1-4H3/b6-5+
InChIKeyWTMAPJKBSKCSCY-AATRIKPKSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-2-[(1S,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]ethenyl] acetate
CID 11052913
methyl 2-[(1S,3S)-2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetate
CID 736113
2-[2,2-dimethyl-3-[(Z)-prop-1-enyl]cyclopropyl]acetic acid
CID 15965673
1-[(1S,3R)-3-bromo-2,2-dimethylcyclopropyl]propan-2-one
CID 130763704
2-[2,2-dimethyl-3-(2-oxopropyl)cyclopropyl]acetaldehyde
CID 10888310
2-(2,2-dichloroethenyl)-3-[(E)-2-methoxyethenyl]-1,1-dimethylcyclopropane
CID 23451683
cis-(1S,3R)-2,2-dimethyl-3-(3-oxobutyl)cyclopropane-1-carbaldehyde
CID 12835794
2-[(1S,3R)-3-formyl-2,2-dimethylcyclopropyl]acetic acid
CID 44631748
1-[3-(2-hydroxy-2-methylpropyl)-2,2-dimethylcyclopropyl]propan-2-one
CID 13461989
2-[(1R,3S)-2,2-dimethyl-3-[(E)-3-oxobut-1-enyl]cyclopropyl]acetonitrile
CID 7463116
2,2-dimethyl-3-(methylperoxymethyl)cyclopropane-1-carbaldehyde
CID 23393208
[(1R,3S)-2,2-dimethyl-3-prop-1-enylcyclopropyl]methanol
CID 54290463

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one?
The IUPAC name of 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one (CID 23451681) is 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one.
What is the SMILES notation for 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one?
The canonical SMILES for 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one is CO/C=C/C1C(CC(C)=O)C1(C)C.
What is the InChIKey of 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one?
The InChIKey is WTMAPJKBSKCSCY-AATRIKPKSA-N. The full InChI is InChI=1S/C11H18O2/c1-8(12)7-10-9(5-6-13-4)11(10,2)3/h5-6,9-10H,7H2,1-4H3/b6-5+.
What are the key properties of 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one?
1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one has a molecular weight of 182.26 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(E)-2-methoxyethenyl]-2,2-dimethylcyclopropyl]propan-2-one is sourced from PubChem (CID 23451681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).