(1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol

C26H38O4Si — CID 53253958

IUPAC(1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
SMILESCC(C)(C)O[C@@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](O)[C@@H]1O
InChIInChI=1S/C26H38O4Si/c1-25(2,3)30-24-19(17-22(27)23(24)28)18-29-31(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24,27-28H,17-18H2,1-6H3/t19-,22-,23-,24+/m0/s1
InChIKeyIHYQTULKOCCHGE-ZNEWLNCYSA-N
MW442.67 g/mol
LogP3.49
Rot. Bonds6

About (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol

(1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol (PubChem CID 53253958) has the molecular formula C26H38O4Si and a molecular weight of 442.67 g/mol. Its IUPAC name is (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
PubChem CID53253958
Molecular FormulaC26H38O4Si
Molecular Weight442.67 g/mol
Exact Mass442.25
IUPAC Name(1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
SMILESCC(C)(C)O[C@@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](O)[C@@H]1O
InChIInChI=1S/C26H38O4Si/c1-25(2,3)30-24-19(17-22(27)23(24)28)18-29-31(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24,27-28H,17-18H2,1-6H3/t19-,22-,23-,24+/m0/s1
InChIKeyIHYQTULKOCCHGE-ZNEWLNCYSA-N
XLogP3.49
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.67
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]propane-1,2,3-triol
CID 25259927
(1R,2S)-1-[(2S)-2-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]oxiran-2-yl]-2-methylbut-3-en-1-ol
CID 140700056
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
CID 140702952
CID 59483201
CID 59483201
2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-3,4,5-trimethyloxolan-3-ol
CID 68154793
(2R,3S,4S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluoro-3,4,5-trimethyloxolan-3-ol
CID 68154794
tert-butyl-[(1S,2S,3R,4R)-2-fluoro-5-methylidene-3-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]oxy-diphenylsilane
CID 141651320
tert-butyl-[(1S,3R,4R)-2-fluoro-5-methylidene-3-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]oxy-diphenylsilane
CID 153310929
(2S,3R,4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(fluoromethyl)-2-methyloxolan-3-ol
CID 173670699
(3aS,4S,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
CID 14018428
(3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol
CID 25138467
trans-(1R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopentan-1-ol
CID 25138469

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol?
The IUPAC name of (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol (CID 53253958) is (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol.
What is the SMILES notation for (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol?
The canonical SMILES for (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol is CC(C)(C)O[C@@H]1[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H](O)[C@@H]1O.
What is the InChIKey of (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol?
The InChIKey is IHYQTULKOCCHGE-ZNEWLNCYSA-N. The full InChI is InChI=1S/C26H38O4Si/c1-25(2,3)30-24-19(17-22(27)23(24)28)18-29-31(26(4,5)6,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,19,22-24,27-28H,17-18H2,1-6H3/t19-,22-,23-,24+/m0/s1.
What are the key properties of (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol?
(1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol has a molecular weight of 442.67 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol is sourced from PubChem (CID 53253958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).