[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane

C27H31BrOSi — CID 67980790

IUPAC[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@]1(CBr)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31BrOSi/c1-26(2,3)30(24-15-9-5-10-16-24,25-17-11-6-12-18-25)29-20-23-19-27(23,21-28)22-13-7-4-8-14-22/h4-18,23H,19-21H2,1-3H3/t23-,27+/m0/s1
InChIKeyJKPLOODRABXORI-WNCULLNHSA-N
MW479.53 g/mol
LogP5.92
Rot. Bonds7

About [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane

[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 67980790) has the molecular formula C27H31BrOSi and a molecular weight of 479.53 g/mol. Its IUPAC name is [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
PubChem CID67980790
Molecular FormulaC27H31BrOSi
Molecular Weight479.53 g/mol
Exact Mass478.13
IUPAC Name[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1C[C@@]1(CBr)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31BrOSi/c1-26(2,3)30(24-15-9-5-10-16-24,25-17-11-6-12-18-25)29-20-23-19-27(23,21-28)22-13-7-4-8-14-22/h4-18,23H,19-21H2,1-3H3/t23-,27+/m0/s1
InChIKeyJKPLOODRABXORI-WNCULLNHSA-N
XLogP5.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.53
LogP ≤ 55.92
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'}

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Related Compounds

[(1R,2R)-2-(2-bromoethynyl)-2-methylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 140733360
5-[[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclopropyl]methoxy]-2,6-dimethylpyridazin-3-one
CID 67980463
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782
[(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,2-trimethylcyclopentyl]methanol
CID 15443826
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
[(2S,3S)-3-[2-[(2S,3R)-3-[2-[(2S,3R)-3-(bromomethyl)-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 102388175
[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-fluorocyclopropyl]methyl benzoate
CID 142743872
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
tert-butyl-[[(2S,4R,5S)-5-chloro-4-fluoro-4-methyloxolan-2-yl]methoxy]-diphenylsilane
CID 90339250
tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethoxycyclobutyl]methoxy]-diphenylsilane
CID 158489976
3-bromopropoxy-tert-butyl-diphenylsilane
CID 11245865
N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclobutyl]-2-methylpropane-2-sulfinamide
CID 178086838

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane (CID 67980790) is [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1C[C@@]1(CBr)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is JKPLOODRABXORI-WNCULLNHSA-N. The full InChI is InChI=1S/C27H31BrOSi/c1-26(2,3)30(24-15-9-5-10-16-24,25-17-11-6-12-18-25)29-20-23-19-27(23,21-28)22-13-7-4-8-14-22/h4-18,23H,19-21H2,1-3H3/t23-,27+/m0/s1.
What are the key properties of [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane?
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 479.53 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 67980790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).