[3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

C18H27BrOSi — CID 138111138

IUPAC[3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCc1ccc(C2=C(Br)CCC2O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H27BrOSi/c1-13-7-9-14(10-8-13)17-15(19)11-12-16(17)20-21(5,6)18(2,3)4/h7-10,16H,11-12H2,1-6H3
InChIKeyHUHZPPNSNOHUKI-UHFFFAOYSA-N
MW367.40 g/mol
LogP6.29
Rot. Bonds3

About [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane

[3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 138111138) has the molecular formula C18H27BrOSi and a molecular weight of 367.40 g/mol. Its IUPAC name is [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
PubChem CID138111138
Molecular FormulaC18H27BrOSi
Molecular Weight367.40 g/mol
Exact Mass366.10
IUPAC Name[3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane
SMILESCc1ccc(C2=C(Br)CCC2O[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C18H27BrOSi/c1-13-7-9-14(10-8-13)17-15(19)11-12-16(17)20-21(5,6)18(2,3)4/h7-10,16H,11-12H2,1-6H3
InChIKeyHUHZPPNSNOHUKI-UHFFFAOYSA-N
XLogP6.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Silane, trimethyl(1-phenylethoxy)-
CID 519015
1-Propanol, 1-phenyl, TMS
CID 530376
Trimethyl(1-phenylprop-2-enoxy)silane
CID 262883
4-Trimethylsilyloxy-4-phenylbut-1-ene
CID 553296
Silane, (1,1-dimethylethyl)dimethyl(1-phenylethoxy)-
CID 11107369
Ethenyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11148985
Silane, (1,1-dimethylethyl)dimethyl[(1-phenyl-3-butenyl)oxy]-
CID 11230810
3-Hexyl-2,2-dimethyl-6-phenyl-5,6-dihydrooxasiline
CID 11266223
Dimethyl-oct-1-en-2-yl-(1-phenylbut-3-enoxy)silane
CID 11370512
1-Oxa-2-silacyclohex-3-ene, 2,2-dimethyl-6-phenyl-
CID 11401459
PhCH(CH3)OSiEt3
CID 11492405
2,2-dimethyl-7-phenyl-6,7-dihydro-5H-oxasilepine
CID 20767169

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane (CID 138111138) is [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is Cc1ccc(C2=C(Br)CCC2O[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is HUHZPPNSNOHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrOSi/c1-13-7-9-14(10-8-13)17-15(19)11-12-16(17)20-21(5,6)18(2,3)4/h7-10,16H,11-12H2,1-6H3.
What are the key properties of [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane?
[3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 367.40 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(4-methylphenyl)cyclopent-2-en-1-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 138111138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).