[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate

C24H28O2 — CID 135068975

IUPAC[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate
SMILESCC(C)=C(OC(=O)C(C)(C)C)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O2/c1-17(2)21(26-22(25)23(3,4)5)20-16-24(20,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,16H2,1-5H3
InChIKeyJCCQZBPDBYSQOK-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.88
Rot. Bonds4

About [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate

[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate (PubChem CID 135068975) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate
PubChem CID135068975
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate
SMILESCC(C)=C(OC(=O)C(C)(C)C)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O2/c1-17(2)21(26-22(25)23(3,4)5)20-16-24(20,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,16H2,1-5H3
InChIKeyJCCQZBPDBYSQOK-UHFFFAOYSA-N
XLogP5.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-[(1R,2S)-2-acetyloxy-2-phenylcyclopropyl]-2-methylprop-1-enyl] 2,2-dimethylpropanoate
CID 54763763
[2-methyl-1-[(1S,6R)-1-phenyl-7-bicyclo[4.1.0]heptanyl]prop-1-enyl] 2,2-dimethylpropanoate
CID 101386328
N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 25250653
benzyl (1R)-2,2-diphenylcyclopropane-1-carboxylate
CID 177499812
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
(1R)-N-(2,4-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 1381012
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 2844054
[(Z)-2-(2,2-dimethylpropanoyloxy)prop-1-enyl]-phenyliodanium
CID 134877789
2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 6611307
(1R)-N-benzyl-2,2-diphenylcyclopropane-1-carboxamide
CID 1247410
(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate?
The IUPAC name of [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate (CID 135068975) is [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate is CC(C)=C(OC(=O)C(C)(C)C)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate?
The InChIKey is JCCQZBPDBYSQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-17(2)21(26-22(25)23(3,4)5)20-16-24(20,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,16H2,1-5H3.
What are the key properties of [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate?
[1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate has a molecular weight of 348.49 g/mol, XLogP of 5.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-diphenylcyclopropyl)-2-methylprop-1-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 135068975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).