1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone

C19H26O — CID 169302964

IUPAC1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)Cc2cc(C)cc(C)c2)C1(C)C
InChIInChI=1S/C19H26O/c1-12(2)7-16-18(19(16,5)6)17(20)11-15-9-13(3)8-14(4)10-15/h7-10,16,18H,11H2,1-6H3/t16-,18+/m1/s1
InChIKeyKQULEBRASUOYRC-AEFFLSMTSA-N
MW270.42 g/mol
LogP4.65
Rot. Bonds4

About 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone

1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone (PubChem CID 169302964) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone
PubChem CID169302964
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)Cc2cc(C)cc(C)c2)C1(C)C
InChIInChI=1S/C19H26O/c1-12(2)7-16-18(19(16,5)6)17(20)11-15-9-13(3)8-14(4)10-15/h7-10,16,18H,11H2,1-6H3/t16-,18+/m1/s1
InChIKeyKQULEBRASUOYRC-AEFFLSMTSA-N
XLogP4.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone?
The IUPAC name of 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone (CID 169302964) is 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone is CC(C)=C[C@@H]1[C@@H](C(=O)Cc2cc(C)cc(C)c2)C1(C)C.
What is the InChIKey of 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone?
The InChIKey is KQULEBRASUOYRC-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H26O/c1-12(2)7-16-18(19(16,5)6)17(20)11-15-9-13(3)8-14(4)10-15/h7-10,16,18H,11H2,1-6H3/t16-,18+/m1/s1.
What are the key properties of 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone?
1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone has a molecular weight of 270.42 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-2-(3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 169302964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).