tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane

C24H29Cl3OSi — CID 59004701

IUPACtert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C24H29Cl3OSi/c1-24(2,3)29(4,5)28-15-16-12-21(17-6-8-18(25)9-7-17)22(13-16)20-11-10-19(26)14-23(20)27/h6-11,14,16H,12-13,15H2,1-5H3
InChIKeyMNXHKDYUICMCIP-UHFFFAOYSA-N
MW467.94 g/mol
LogP8.99
Rot. Bonds5

About tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane

tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane (PubChem CID 59004701) has the molecular formula C24H29Cl3OSi and a molecular weight of 467.94 g/mol. Its IUPAC name is tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane
PubChem CID59004701
Molecular FormulaC24H29Cl3OSi
Molecular Weight467.94 g/mol
Exact Mass466.11
IUPAC Nametert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1CC(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C24H29Cl3OSi/c1-24(2,3)29(4,5)28-15-16-12-21(17-6-8-18(25)9-7-17)22(13-16)20-11-10-19(26)14-23(20)27/h6-11,14,16H,12-13,15H2,1-5H3
InChIKeyMNXHKDYUICMCIP-UHFFFAOYSA-N
XLogP8.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.94
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3S)-3-(4-chloro-3-fluorophenyl)butoxy]-dimethylsilane
CID 89817379
Tert-butyl-[2-[(4-chlorophenyl)methyl]-3,3-difluoropropoxy]-diphenylsilane
CID 153616192
Silane, diethyldi(2,4,6-trichlorophenoxy)-
CID 91731794
2,4-Dichlorobenzyl alcohol, benzyldimethylsilyl ether
CID 91737029
2,6-Dichlorobenzyl alcohol, benzyldimethylsilyl ether
CID 91737124
Bis(4-chlorophenyl)methanol, tert-butyldimethylsilyl ether
CID 91737304
2,4-Dichlorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91737025
tert-butyl-[(4R)-4-(3,4-dichlorophenyl)-4-phenylbutoxy]-dimethylsilane
CID 134901194
[4-(3,5-Difluorophenyl)-1-(2,4,6-trichlorophenyl)butoxy]-triethylsilane
CID 161656078
2,4-Dichloro-1-tripropylsilyloxymethylbenzene
CID 594257
2,4-Dichloro-1-dimethyl(isopropyl)silyloxybenzene
CID 594629
Triethyl(2,4-dichlorobenzyloxy)silane
CID 621490

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane (CID 59004701) is tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1CC(c2ccc(Cl)cc2)=C(c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane?
The InChIKey is MNXHKDYUICMCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl3OSi/c1-24(2,3)29(4,5)28-15-16-12-21(17-6-8-18(25)9-7-17)22(13-16)20-11-10-19(26)14-23(20)27/h6-11,14,16H,12-13,15H2,1-5H3.
What are the key properties of tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane?
tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane has a molecular weight of 467.94 g/mol, XLogP of 8.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)cyclopent-3-en-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 59004701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).