[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane

C23H27BrOSi — CID 140733360

IUPAC[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@]1(C)C#CBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27BrOSi/c1-22(2,3)26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)25-18-19-17-23(19,4)15-16-24/h5-14,19H,17-18H2,1-4H3/t19-,23+/m0/s1
InChIKeyBMZXIVXCGVTNCT-WMZHIEFXSA-N
MW427.46 g/mol
LogP4.95
Rot. Bonds5

About [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane

[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 140733360) has the molecular formula C23H27BrOSi and a molecular weight of 427.46 g/mol. Its IUPAC name is [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane
PubChem CID140733360
Molecular FormulaC23H27BrOSi
Molecular Weight427.46 g/mol
Exact Mass426.10
IUPAC Name[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@]1(C)C#CBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H27BrOSi/c1-22(2,3)26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)25-18-19-17-23(19,4)15-16-24/h5-14,19H,17-18H2,1-4H3/t19-,23+/m0/s1
InChIKeyBMZXIVXCGVTNCT-WMZHIEFXSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethoxycyclobutyl]methoxy]-diphenylsilane
CID 158489976
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
CID 68912098
tert-butyl-[(2,6-dimethoxycyclohexa-2,5-dien-1-yl)methoxy]-diphenylsilane
CID 603410
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782
[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropyl]methyl benzoate
CID 142743872
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane (CID 140733360) is [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1C[C@@]1(C)C#CBr)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is BMZXIVXCGVTNCT-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H27BrOSi/c1-22(2,3)26(20-11-7-5-8-12-20,21-13-9-6-10-14-21)25-18-19-17-23(19,4)15-16-24/h5-14,19H,17-18H2,1-4H3/t19-,23+/m0/s1.
What are the key properties of [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane?
[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 427.46 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 140733360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).