(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol

C29H54O4S2Si2 — CID 102505081

IUPAC(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)CC1(C[C@H](COCc2ccccc2)O[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C29H54O4S2Si2/c1-27(2,3)36(7,8)32-22-25(30)19-29(34-17-14-18-35-29)20-26(33-37(9,10)28(4,5)6)23-31-21-24-15-12-11-13-16-24/h11-13,15-16,25-26,30H,14,17-23H2,1-10H3/t25-,26-/m1/s1
InChIKeyDFPYZVXRLGWRSO-CLJLJLNGSA-N
MW587.05 g/mol
LogP8.32
Rot. Bonds13

About (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol

(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol (PubChem CID 102505081) has the molecular formula C29H54O4S2Si2 and a molecular weight of 587.05 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol
PubChem CID102505081
Molecular FormulaC29H54O4S2Si2
Molecular Weight587.05 g/mol
Exact Mass586.30
IUPAC Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol
SMILESCC(C)(C)[Si](C)(C)OC[C@H](O)CC1(C[C@H](COCc2ccccc2)O[Si](C)(C)C(C)(C)C)SCCCS1
InChIInChI=1S/C29H54O4S2Si2/c1-27(2,3)36(7,8)32-22-25(30)19-29(34-17-14-18-35-29)20-26(33-37(9,10)28(4,5)6)23-31-21-24-15-12-11-13-16-24/h11-13,15-16,25-26,30H,14,17-23H2,1-10H3/t25-,26-/m1/s1
InChIKeyDFPYZVXRLGWRSO-CLJLJLNGSA-N
XLogP8.32
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.05
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol with MolForge

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Related Compounds

D-ribo-Hexose, 3-deoxy-6-O-[(1,1-dimethylethyl)diphenylsilyl]-5-C-methyl-2-O-methyl-4-O-(phenylmethyl)-, cyclic 1,2-ethanediyl dithioacetal
CID 165366570
(3R,4R,5S,6R)-6-(hydroxymethyl)-4,5-bis(phenylmethoxy)thian-3-ol
CID 134927398
(2R)-1-[2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentyl]-1,3-dithian-2-yl]-5-trimethylsilylpent-4-yn-2-ol
CID 135010399
(3S,4S,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-phenylmethoxythiolan-3-ol
CID 10528669
1-(1,3-Dithian-2-yl)-3-phenylmethoxypropan-2-ol
CID 15162658
(8S,9S,10R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.6]dodecan-11-ol
CID 10875413
(2S,4S)-1,5-bis[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]pentane-2,4-diol
CID 10898251
(2R)-1-[2-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-ol
CID 10972058
(1S)-1-phenyl-2-[2-[(2S)-2-phenyl-2-trimethylsilyloxyethyl]-1,3-dithian-2-yl]ethanol
CID 11015561
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-[2-[[(2S,6R)-4,4-dimethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-1,3-dithian-2-yl]-4-methylpentan-3-yl]oxy-dimethylsilane
CID 11018085
(2S,4R)-6-phenylmethoxy-1-(2-tributylstannyl-1,3-dithian-2-yl)hexane-2,4-diol
CID 11050449
(1R,2R,3S,4R)-6,6-bis(methylsulfanyl)-2,3-bis(phenylmethoxy)-4-trimethylsilyloxycycloheptan-1-ol
CID 11145605

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol (CID 102505081) is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol is CC(C)(C)[Si](C)(C)OC[C@H](O)CC1(C[C@H](COCc2ccccc2)O[Si](C)(C)C(C)(C)C)SCCCS1.
What is the InChIKey of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol?
The InChIKey is DFPYZVXRLGWRSO-CLJLJLNGSA-N. The full InChI is InChI=1S/C29H54O4S2Si2/c1-27(2,3)36(7,8)32-22-25(30)19-29(34-17-14-18-35-29)20-26(33-37(9,10)28(4,5)6)23-31-21-24-15-12-11-13-16-24/h11-13,15-16,25-26,30H,14,17-23H2,1-10H3/t25-,26-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol?
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol has a molecular weight of 587.05 g/mol, XLogP of 8.32, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypropyl]-1,3-dithian-2-yl]propan-2-ol is sourced from PubChem (CID 102505081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).