tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane

C38H46O3Si — CID 25150053

IUPACtert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C38H46O3Si/c1-37(2,3)42(4,5)41-35-27-26-31(36(35)39-28-30-18-10-6-11-19-30)29-40-38(32-20-12-7-13-21-32,33-22-14-8-15-23-33)34-24-16-9-17-25-34/h6-25,31,35-36H,26-29H2,1-5H3/t31-,35+,36+/m1/s1
InChIKeyZAPKVGIZVTXPAH-JNBVYXHXSA-N
MW578.87 g/mol
LogP9.38
Rot. Bonds11

About tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane

tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane (PubChem CID 25150053) has the molecular formula C38H46O3Si and a molecular weight of 578.87 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane
PubChem CID25150053
Molecular FormulaC38H46O3Si
Molecular Weight578.87 g/mol
Exact Mass578.32
IUPAC Nametert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C38H46O3Si/c1-37(2,3)42(4,5)41-35-27-26-31(36(35)39-28-30-18-10-6-11-19-30)29-40-38(32-20-12-7-13-21-32,33-22-14-8-15-23-33)34-24-16-9-17-25-34/h6-25,31,35-36H,26-29H2,1-5H3/t31-,35+,36+/m1/s1
InChIKeyZAPKVGIZVTXPAH-JNBVYXHXSA-N
XLogP9.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.87
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3-(trityloxymethyl)cyclopentan-1-ol
CID 46928266
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
CID 101470588
2-[(1R,2R,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]isoindole-1,3-dione
CID 25149837
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
tert-butyl-[[(8R,9S,10S,11R)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-yl]oxy]-dimethylsilane
CID 11319886
2,3,4-tris(phenylmethoxy)-5-(trityloxymethyl)oxolane
CID 14779420
tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane
CID 169157215
(2R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-6-phenylsulfanyl-2-(trityloxymethyl)oxan-3-one
CID 10876392
tert-butyl-[(2S,3S,6S)-6-[(2R,3R,4S,5R,6S)-6-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-methyloxan-3-yl]oxy-dimethylsilane
CID 10919538

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane (CID 25150053) is tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane is CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane?
The InChIKey is ZAPKVGIZVTXPAH-JNBVYXHXSA-N. The full InChI is InChI=1S/C38H46O3Si/c1-37(2,3)42(4,5)41-35-27-26-31(36(35)39-28-30-18-10-6-11-19-30)29-40-38(32-20-12-7-13-21-32,33-22-14-8-15-23-33)34-24-16-9-17-25-34/h6-25,31,35-36H,26-29H2,1-5H3/t31-,35+,36+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane?
tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane has a molecular weight of 578.87 g/mol, XLogP of 9.38, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane is sourced from PubChem (CID 25150053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).