tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane

C32H44O2Si2 — CID 102371404

IUPACtert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane
SMILESCOC[C@@]1(c2ccccc2)C[C@H](C)[C@@H]([Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C32H44O2Si2/c1-26-23-32(25-33-5,27-17-11-8-12-18-27)24-30(26)35(6,7)34-36(31(2,3)4,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22,26,30H,23-25H2,1-7H3/t26-,30-,32+/m0/s1
InChIKeyBOHPPVYNPCPWRT-WXALXNGTSA-N
MW516.87 g/mol
LogP7.15
Rot. Bonds8

About tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane

tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane (PubChem CID 102371404) has the molecular formula C32H44O2Si2 and a molecular weight of 516.87 g/mol. Its IUPAC name is tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane
PubChem CID102371404
Molecular FormulaC32H44O2Si2
Molecular Weight516.87 g/mol
Exact Mass516.29
IUPAC Nametert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane
SMILESCOC[C@@]1(c2ccccc2)C[C@H](C)[C@@H]([Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C32H44O2Si2/c1-26-23-32(25-33-5,27-17-11-8-12-18-27)24-30(26)35(6,7)34-36(31(2,3)4,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22,26,30H,23-25H2,1-7H3/t26-,30-,32+/m0/s1
InChIKeyBOHPPVYNPCPWRT-WXALXNGTSA-N
XLogP7.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.87
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane with MolForge

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Related Compounds

tert-butyl-[[(1S,2S,4R)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane
CID 102371411
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
CID 142733105
[(1R,2S)-2-(bromomethyl)-2-phenylcyclopropyl]methoxy-tert-butyl-diphenylsilane
CID 67980790
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
CID 157399412
tert-butyl-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 170897953
5-[[(1S,2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-phenylcyclopropyl]methoxy]-2,6-dimethylpyridazin-3-one
CID 67980463
tert-butyl-diphenyl-[(2R,3R,5S,6R)-2,4,6-tris(methoxymethoxy)-3,5-bis(triethylsilyloxy)cyclohexyl]oxysilane
CID 46702416
tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethoxycyclobutyl]methoxy]-diphenylsilane
CID 158489976
(2S,3R,4S,6R)-3-[tert-butyl(diphenyl)silyl]oxy-6-methoxy-2-methyloxan-4-ol
CID 177394561
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane (CID 102371404) is tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane is COC[C@@]1(c2ccccc2)C[C@H](C)[C@@H]([Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane?
The InChIKey is BOHPPVYNPCPWRT-WXALXNGTSA-N. The full InChI is InChI=1S/C32H44O2Si2/c1-26-23-32(25-33-5,27-17-11-8-12-18-27)24-30(26)35(6,7)34-36(31(2,3)4,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22,26,30H,23-25H2,1-7H3/t26-,30-,32+/m0/s1.
What are the key properties of tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane?
tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane has a molecular weight of 516.87 g/mol, XLogP of 7.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1S,2S,4S)-4-(methoxymethyl)-2-methyl-4-phenylcyclopentyl]-dimethylsilyl]oxy-diphenylsilane is sourced from PubChem (CID 102371404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).