2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one

C24H22OSi — CID 10360804

IUPAC2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one
SMILESCC(C)c1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C24H22OSi/c1-18(2)22-23(25)24(22)26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3
InChIKeySYKRCGPJQYKURU-UHFFFAOYSA-N
MW354.53 g/mol
LogP2.42
Rot. Bonds5

About 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one

2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one (PubChem CID 10360804) has the molecular formula C24H22OSi and a molecular weight of 354.53 g/mol. Its IUPAC name is 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one.

Molecular Properties

Compound Name2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one
PubChem CID10360804
Molecular FormulaC24H22OSi
Molecular Weight354.53 g/mol
Exact Mass354.14
IUPAC Name2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one
SMILESCC(C)c1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O
InChIInChI=1S/C24H22OSi/c1-18(2)22-23(25)24(22)26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3
InChIKeySYKRCGPJQYKURU-UHFFFAOYSA-N
XLogP2.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.53
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2,6-Dibenzylidene-4-methylcyclohexanone
CID 1799215
Cyclohexanone, 4-methyl-2,6-bis(3-phenyl-2-propenylidene)-
CID 3592139
(2E,6E)-2,6-dibenzylidene-3-methylcyclohexan-1-one
CID 5977578
5-[Tert-butyl(diphenyl)silyl]-2-methylcyclohexan-1-one
CID 10066505
6-[[Tert-butyl(diphenyl)silyl]methyl]-5-methylhept-6-en-3-one
CID 10937740
3-[(Z)-2-[tert-butyl(diphenyl)silyl]ethenyl]cyclohexan-1-one
CID 11726180
(1E)-4-[[dimethyl(phenyl)silyl]methyl]-1-phenylpenta-1,4-dien-3-one
CID 12046570
3-Methyl-1-triphenylsilylbut-2-en-1-one
CID 14976916
(E)-1-triphenylsilylhept-2-en-1-one
CID 15033619
(2E)-2-(tributylstannylmethylidene)-1-triphenylsilylbutane-1,3-dione
CID 15681859
(4R,4aR)-4-[dimethyl(phenyl)silyl]-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 134901133
Silane, (1-oxopropyl)triphenyl-
CID 5172917

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one?
The IUPAC name of 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one (CID 10360804) is 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one.
What is the SMILES notation for 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one?
The canonical SMILES for 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one is CC(C)c1c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1=O.
What is the InChIKey of 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one?
The InChIKey is SYKRCGPJQYKURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22OSi/c1-18(2)22-23(25)24(22)26(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3.
What are the key properties of 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one?
2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one has a molecular weight of 354.53 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-triphenylsilylcycloprop-2-en-1-one is sourced from PubChem (CID 10360804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).