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

C23H31BrOSi — CID 171429782

IUPAC[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CCC[C@H]1CBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31BrOSi/c1-23(2,3)26(21-13-6-4-7-14-21,22-15-8-5-9-16-22)25-18-20-12-10-11-19(20)17-24/h4-9,13-16,19-20H,10-12,17-18H2,1-3H3/t19-,20-/m0/s1
InChIKeyVTROFHGQXWMVGY-PMACEKPBSA-N
MW431.49 g/mol
LogP5.37
Rot. Bonds6

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

[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane (PubChem CID 171429782) has the molecular formula C23H31BrOSi and a molecular weight of 431.49 g/mol. Its IUPAC name is [(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
PubChem CID171429782
Molecular FormulaC23H31BrOSi
Molecular Weight431.49 g/mol
Exact Mass430.13
IUPAC Name[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@@H]1CCC[C@H]1CBr)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31BrOSi/c1-23(2,3)26(21-13-6-4-7-14-21,22-15-8-5-9-16-22)25-18-20-12-10-11-19(20)17-24/h4-9,13-16,19-20H,10-12,17-18H2,1-3H3/t19-,20-/m0/s1
InChIKeyVTROFHGQXWMVGY-PMACEKPBSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.37
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

tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
cis-(1R,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde;cis-(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropane-1-carbaldehyde
CID 162119958
tert-butyl-[(2,6-dimethoxycyclohexa-2,5-dien-1-yl)methoxy]-diphenylsilane
CID 603410
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol
CID 122207177
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790
(2R)-2-[(1R,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutyl]-2-methoxyacetaldehyde
CID 164787145
tert-butyl-[[(3R,4R)-4-methoxyoxolan-3-yl]methoxy]-diphenylsilane
CID 67077747

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane?
The IUPAC name of [(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane (CID 171429782) is [(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC[C@@H]1CCC[C@H]1CBr)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane?
The InChIKey is VTROFHGQXWMVGY-PMACEKPBSA-N. The full InChI is InChI=1S/C23H31BrOSi/c1-23(2,3)26(21-13-6-4-7-14-21,22-15-8-5-9-16-22)25-18-20-12-10-11-19(20)17-24/h4-9,13-16,19-20H,10-12,17-18H2,1-3H3/t19-,20-/m0/s1.
What are the key properties of [(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane?
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane has a molecular weight of 431.49 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 171429782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).