[3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane

C17H33BrOSi — CID 142633715

IUPAC[3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane
SMILESCC(C)(C)C[Si](C)(OCC1C=C(CBr)CC1)C(C)(C)C
InChIInChI=1S/C17H33BrOSi/c1-16(2,3)13-20(7,17(4,5)6)19-12-15-9-8-14(10-15)11-18/h10,15H,8-9,11-13H2,1-7H3
InChIKeyYOLJEMJEFGSQJD-UHFFFAOYSA-N
MW361.44 g/mol
LogP6.16
Rot. Bonds5

About [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane

[3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane (PubChem CID 142633715) has the molecular formula C17H33BrOSi and a molecular weight of 361.44 g/mol. Its IUPAC name is [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane.

Molecular Properties

Compound Name[3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane
PubChem CID142633715
Molecular FormulaC17H33BrOSi
Molecular Weight361.44 g/mol
Exact Mass360.15
IUPAC Name[3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane
SMILESCC(C)(C)C[Si](C)(OCC1C=C(CBr)CC1)C(C)(C)C
InChIInChI=1S/C17H33BrOSi/c1-16(2,3)13-20(7,17(4,5)6)19-12-15-9-8-14(10-15)11-18/h10,15H,8-9,11-13H2,1-7H3
InChIKeyYOLJEMJEFGSQJD-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,6S)-2-(bromomethyl)-1,6-dimethylcyclohex-2-en-1-yl]methoxy-tri(propan-2-yl)silane
CID 11452085
[(E,2R,4R,5R)-8-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5,7-dimethyloct-6-en-2-yl]oxy-tert-butyl-dimethylsilane
CID 53329189
(5-t-Butyldimethylsilyloxymethylcyclopent-1-en-1-yl)methyl bromide
CID 53795506
(4-t-Butyldimethylsilyloxymethylcyclopent-1-en-1-yl)methyl bromide
CID 53841289
[3,4-Di(t-butyldimethylsilyloxymethyl)cyclopent-1-en-1-yl]methyl bromide
CID 54350482
[3-(Bromomethyl)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane
CID 57281153
[3-(Bromomethyl)cyclopent-3-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane
CID 160538675
[2-(Bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-dimethylsilane;tetrabromomethane
CID 161262935
[(Z)-8-bromo-3,7-dimethyloct-6-enoxy]-tert-butyl-dimethylsilane
CID 11110873
[(1S,5R)-5-bromo-2,6,6-trimethylcyclohex-2-en-1-yl]methoxy-tert-butyl-dimethylsilane
CID 177583518

Frequently Asked Questions

What is the IUPAC name of [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane?
The IUPAC name of [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane (CID 142633715) is [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane.
What is the SMILES notation for [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane?
The canonical SMILES for [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane is CC(C)(C)C[Si](C)(OCC1C=C(CBr)CC1)C(C)(C)C.
What is the InChIKey of [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane?
The InChIKey is YOLJEMJEFGSQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33BrOSi/c1-16(2,3)13-20(7,17(4,5)6)19-12-15-9-8-14(10-15)11-18/h10,15H,8-9,11-13H2,1-7H3.
What are the key properties of [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane?
[3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane has a molecular weight of 361.44 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(bromomethyl)cyclopent-2-en-1-yl]methoxy-tert-butyl-(2,2-dimethylpropyl)-methylsilane is sourced from PubChem (CID 142633715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).