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

C36H58O4S2Si2 — CID 11319886

IUPACtert-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
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc3ccccc3)[C@@H]1OCc1ccccc1)SCCCS2
InChIInChI=1S/C36H58O4S2Si2/c1-34(2,3)43(7,8)39-30-24-36(41-22-17-23-42-36)25-31(40-44(9,10)35(4,5)6)33(38-27-29-20-15-12-16-21-29)32(30)37-26-28-18-13-11-14-19-28/h11-16,18-21,30-33H,17,22-27H2,1-10H3/t30-,31-,32-,33-/m1/s1
InChIKeyKQTMFUROZNQXLB-XEXPGFJZSA-N
MW675.16 g/mol
LogP10.30
Rot. Bonds10

About 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

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 (PubChem CID 11319886) has the molecular formula C36H58O4S2Si2 and a molecular weight of 675.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID11319886
Molecular FormulaC36H58O4S2Si2
Molecular Weight675.16 g/mol
Exact Mass674.33
IUPAC Nametert-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
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CC2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc3ccccc3)[C@@H]1OCc1ccccc1)SCCCS2
InChIInChI=1S/C36H58O4S2Si2/c1-34(2,3)43(7,8)39-30-24-36(41-22-17-23-42-36)25-31(40-44(9,10)35(4,5)6)33(38-27-29-20-15-12-16-21-29)32(30)37-26-28-18-13-11-14-19-28/h11-16,18-21,30-33H,17,22-27H2,1-10H3/t30-,31-,32-,33-/m1/s1
InChIKeyKQTMFUROZNQXLB-XEXPGFJZSA-N
XLogP10.30
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.16
LogP ≤ 510.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(8R,9S,10R,11S)-8-[tert-butyl(dimethyl)silyl]oxy-9,10-bis(phenylmethoxy)-1,5-dithiaspiro[5.5]undecan-11-yl]methanol
CID 100948352
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786
8-ethyl-10-phenylmethoxy-9-oxa-1,5-dithiaspiro[5.5]undecane
CID 10829854
(1R,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxycyclohexan-1-ol
CID 10616882
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
(2S,3S,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-phenylmethoxyoxan-3-ol
CID 14160927
[(2S,3S,5R,6R)-2,6-diacetyloxy-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-phenylmethoxycyclohexyl] acetate
CID 10031871
tert-butyl-dimethyl-[(1S,2S,3R)-2-phenylmethoxy-3-(trityloxymethyl)cyclopentyl]oxysilane
CID 25150053
(1S,2S,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)-5-phenylmethoxycyclohexan-1-ol
CID 101116684
methyl 2-[(8S,10S)-10-(2-methyl-1-phenylmethoxypropan-2-yl)-9-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]acetate
CID 102483787
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
CID 11382951

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)[Si](C)(C)O[C@@H]1CC2(C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OCc3ccccc3)[C@@H]1OCc1ccccc1)SCCCS2.
What is the InChIKey of 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?
The InChIKey is KQTMFUROZNQXLB-XEXPGFJZSA-N. The full InChI is InChI=1S/C36H58O4S2Si2/c1-34(2,3)43(7,8)39-30-24-36(41-22-17-23-42-36)25-31(40-44(9,10)35(4,5)6)33(38-27-29-20-15-12-16-21-29)32(30)37-26-28-18-13-11-14-19-28/h11-16,18-21,30-33H,17,22-27H2,1-10H3/t30-,31-,32-,33-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 675.16 g/mol, XLogP of 10.30, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11319886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).