2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane

C20H41BrO2Si2 — CID 102456007

IUPAC2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane
SMILESCC(C)(O[Si](C)(C)C)[C@@H]1CC[C@@](C)(CO[Si](C)(C)C(C)(C)C)/C1=C/Br
InChIInChI=1S/C20H41BrO2Si2/c1-18(2,3)25(10,11)22-15-20(6)13-12-16(17(20)14-21)19(4,5)23-24(7,8)9/h14,16H,12-13,15H2,1-11H3/b17-14+/t16-,20+/m1/s1
InChIKeyVGIMBQBHVFYCQN-LNMCNHIHSA-N
MW449.62 g/mol
LogP7.33
Rot. Bonds6

About 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane

2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane (PubChem CID 102456007) has the molecular formula C20H41BrO2Si2 and a molecular weight of 449.62 g/mol. Its IUPAC name is 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane.

Molecular Properties

Compound Name2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane
PubChem CID102456007
Molecular FormulaC20H41BrO2Si2
Molecular Weight449.62 g/mol
Exact Mass448.18
IUPAC Name2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane
SMILESCC(C)(O[Si](C)(C)C)[C@@H]1CC[C@@](C)(CO[Si](C)(C)C(C)(C)C)/C1=C/Br
InChIInChI=1S/C20H41BrO2Si2/c1-18(2,3)25(10,11)22-15-20(6)13-12-16(17(20)14-21)19(4,5)23-24(7,8)9/h14,16H,12-13,15H2,1-11H3/b17-14+/t16-,20+/m1/s1
InChIKeyVGIMBQBHVFYCQN-LNMCNHIHSA-N
XLogP7.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.62
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S,4S)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylidene-2-bicyclo[2.2.2]octanyl]acetaldehyde
CID 25053673
[(2S,3R,4S)-3-bromo-2,4-dimethyloxolan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 11336259
(3R,3aS,6R,6aR)-6a-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,6-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-6-ol
CID 135068634
(1R,4S,5S,9R,12S)-9-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,9-dimethyl-2-oxatricyclo[6.3.1.04,12]dodec-7-en-3-one
CID 10665590
tert-butyl-[[1-(2-cyclopropylethynyl)cyclobutyl]methoxy]-dimethylsilane
CID 155673269
tert-butyl-[[(1S,5R)-6,6-dimethyl-2-methylidene-1-bicyclo[3.1.0]hexanyl]methoxy]-dimethylsilane
CID 99771555
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl] formate
CID 88528246
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
1,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4-dichloro-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 172628559
tert-butyl-[(2-ethyl-3,4-dihydropyran-2-yl)methoxy]-dimethylsilane
CID 58063687
[(3S,6S)-6-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-[tert-butyl(dimethyl)silyl]oxy-2-methylheptan-3-yl]oxy-tert-butyl-dimethylsilane
CID 69298387

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane?
The IUPAC name of 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane (CID 102456007) is 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane.
What is the SMILES notation for 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane?
The canonical SMILES for 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane is CC(C)(O[Si](C)(C)C)[C@@H]1CC[C@@](C)(CO[Si](C)(C)C(C)(C)C)/C1=C/Br.
What is the InChIKey of 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane?
The InChIKey is VGIMBQBHVFYCQN-LNMCNHIHSA-N. The full InChI is InChI=1S/C20H41BrO2Si2/c1-18(2,3)25(10,11)22-15-20(6)13-12-16(17(20)14-21)19(4,5)23-24(7,8)9/h14,16H,12-13,15H2,1-11H3/b17-14+/t16-,20+/m1/s1.
What are the key properties of 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane?
2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane has a molecular weight of 449.62 g/mol, XLogP of 7.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2E,3R)-2-(bromomethylidene)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylcyclopentyl]propan-2-yloxy-trimethylsilane is sourced from PubChem (CID 102456007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).