[(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane

C29H54O3SSi2 — CID 134878359

IUPAC[(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1OC(Sc2ccccc2)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H54O3SSi2/c1-20(2)34(21(3)4,22(5)6)30-19-28-27(32-35(23(7)8,24(9)10)25(11)12)18-29(31-28)33-26-16-14-13-15-17-26/h13-17,20-25,27-29H,18-19H2,1-12H3/t27-,28+,29?/m0/s1
InChIKeyWRXNJEICNYHBIZ-POZJPKTBSA-N
MW538.99 g/mol
LogP9.65
Rot. Bonds13

About [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane

[(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 134878359) has the molecular formula C29H54O3SSi2 and a molecular weight of 538.99 g/mol. Its IUPAC name is [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID134878359
Molecular FormulaC29H54O3SSi2
Molecular Weight538.99 g/mol
Exact Mass538.33
IUPAC Name[(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@H]1OC(Sc2ccccc2)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C29H54O3SSi2/c1-20(2)34(21(3)4,22(5)6)30-19-28-27(32-35(23(7)8,24(9)10)25(11)12)18-29(31-28)33-26-16-14-13-15-17-26/h13-17,20-25,27-29H,18-19H2,1-12H3/t27-,28+,29?/m0/s1
InChIKeyWRXNJEICNYHBIZ-POZJPKTBSA-N
XLogP9.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.99
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

alpha-D-Ribofuranoside 2,3-O-isopropylidene-1-phenylthio-5-(t-butyldimethylsilyl)-
CID 91713347
6-(4-fluorophenyl)sulfanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-thieno[3,2-f][1,3,5,2,4]trioxadisilocine
CID 153333206
(6aR,9aS)-8-(4-fluorophenyl)sulfanyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-thieno[3,2-f][1,3,5,2,4]trioxadisilocine
CID 155642240
2-[[4-[Dimethyl-[3-[2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propoxy]propyl]silyl]phenyl]-dimethyl-lambda4-sulfanyl]ethyl-trimethoxysilane
CID 177125332
trimethyl-[(Z)-1-phenylsulfanyl-5-trimethylsilylhex-4-en-2-yl]oxysilane
CID 11068172
Trimethyl-(2-methylidene-6-phenylsulfanyl-4-trimethylsilyloxyhexyl)silane
CID 11132308
[(3aR,4S,6S,7S,7aS)-2,2,6-trimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 11304434
[(4S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 11338853
TBDMS(-3)[TBDMS(-5)]2-deoxy-D-eryPenf-SPh
CID 11408425
TBDMS(-2)[TBDMS(-3)][TBDMS(-4)]Xyl(b)-SPh
CID 11410668
tert-butyl-[(2R,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methyl-5-phenylsulfanyloxolan-3-yl]oxy-dimethylsilane
CID 101860154
[(3S,4R,5S,6S)-2-(benzenesulfinyl)-3-[tert-butyl(dimethyl)silyl]oxy-5-methoxy-6-methyloxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 102281305

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane (CID 134878359) is [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@H]1OC(Sc2ccccc2)C[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is WRXNJEICNYHBIZ-POZJPKTBSA-N. The full InChI is InChI=1S/C29H54O3SSi2/c1-20(2)34(21(3)4,22(5)6)30-19-28-27(32-35(23(7)8,24(9)10)25(11)12)18-29(31-28)33-26-16-14-13-15-17-26/h13-17,20-25,27-29H,18-19H2,1-12H3/t27-,28+,29?/m0/s1.
What are the key properties of [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane?
[(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 538.99 g/mol, XLogP of 9.65, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-5-phenylsulfanyl-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134878359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).