[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol

C32H42O3Si — CID 101470588

IUPAC[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CO)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C32H42O3Si/c1-31(2,3)36(4,5)35-30-21-25(23-33)26(22-30)24-34-32(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,25-26,30,33H,21-24H2,1-5H3/t25-,26-,30-/m0/s1
InChIKeyDCLZNBAPYYGTBC-JCGRVDTESA-N
MW502.77 g/mol
LogP7.40
Rot. Bonds9

About [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol

[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol (PubChem CID 101470588) has the molecular formula C32H42O3Si and a molecular weight of 502.77 g/mol. Its IUPAC name is [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
PubChem CID101470588
Molecular FormulaC32H42O3Si
Molecular Weight502.77 g/mol
Exact Mass502.29
IUPAC Name[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CO)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C32H42O3Si/c1-31(2,3)36(4,5)35-30-21-25(23-33)26(22-30)24-34-32(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,25-26,30,33H,21-24H2,1-5H3/t25-,26-,30-/m0/s1
InChIKeyDCLZNBAPYYGTBC-JCGRVDTESA-N
XLogP7.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 57.40
H-Bond Donors ≤ 51
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
tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane
CID 25150053
tert-butyl-dimethyl-[1-(2-trityloxyethyl)piperidin-4-yl]oxysilane
CID 169157215
(1S)-1-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-(trityloxymethyl)oxolan-2-yl]ethanol
CID 11285204
[3-[tert-butyl(dimethyl)silyl]oxycyclobutyl]methanol
CID 66698189
(2S,3R,4R,5R,6R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-phenylselanyl-6-(trityloxymethyl)oxan-3-ol
CID 101051182
(3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[tert-butyl(dimethyl)silyl]oxyoxolane-2,4-diol
CID 69329004
CID 146029384
CID 146029384
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]-diphenylmethanol
CID 102172046
tert-butyl-dimethyl-(6-trityloxyhexoxy)silane
CID 16753413
[(2R,3S,4S,5R,6S)-5-benzoyloxy-4-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-ylsulfanyl-2-(trityloxymethyl)oxan-3-yl] benzoate
CID 11814755

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol?
The IUPAC name of [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol (CID 101470588) is [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol.
What is the SMILES notation for [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol?
The canonical SMILES for [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol is CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](CO)[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol?
The InChIKey is DCLZNBAPYYGTBC-JCGRVDTESA-N. The full InChI is InChI=1S/C32H42O3Si/c1-31(2,3)36(4,5)35-30-21-25(23-33)26(22-30)24-34-32(27-15-9-6-10-16-27,28-17-11-7-12-18-28)29-19-13-8-14-20-29/h6-20,25-26,30,33H,21-24H2,1-5H3/t25-,26-,30-/m0/s1.
What are the key properties of [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol?
[(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol has a molecular weight of 502.77 g/mol, XLogP of 7.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(trityloxymethyl)cyclopentyl]methanol is sourced from PubChem (CID 101470588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).