tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane

C24H32O2S2Si — CID 11037628

IUPACtert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane
SMILESC[C@H]1CC2(C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O1)SCCS2
InChIInChI=1S/C24H32O2S2Si/c1-19-17-24(27-15-16-28-24)18-22(25-19)26-29(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-18H2,1-4H3/t19-,22+/m0/s1
InChIKeyHPPVVWZDTVVBHK-SIKLNZKXSA-N
MW444.74 g/mol
LogP5.26
Rot. Bonds4

About tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane

tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane (PubChem CID 11037628) has the molecular formula C24H32O2S2Si and a molecular weight of 444.74 g/mol. Its IUPAC name is tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane
PubChem CID11037628
Molecular FormulaC24H32O2S2Si
Molecular Weight444.74 g/mol
Exact Mass444.16
IUPAC Nametert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane
SMILESC[C@H]1CC2(C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O1)SCCS2
InChIInChI=1S/C24H32O2S2Si/c1-19-17-24(27-15-16-28-24)18-22(25-19)26-29(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-18H2,1-4H3/t19-,22+/m0/s1
InChIKeyHPPVVWZDTVVBHK-SIKLNZKXSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.74
LogP ≤ 55.26
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

tert-butyl-[(2R,3S)-4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 134878188
Tert-butyl-[4-[2-[3-(oxan-2-yloxy)propyl]-1,3-dithian-2-yl]butoxy]-diphenylsilane
CID 134936240
(2S)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]butan-2-ol
CID 11071805
[2-[2-(1,3-Dioxolan-2-yl)propyl]-1,3-dithian-2-yl]-methyl-diphenylsilane
CID 11743440
tert-butyl-[(2S,4S)-5-(1,3-dithian-2-yl)-2-(ethoxymethoxy)-4-methoxypentoxy]-diphenylsilane
CID 46702202
(2R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,3-dithian-2-yl]butan-2-ol
CID 134878532
tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane
CID 134878579
Tert-butyl-[4-(1,3-dithian-2-yl)-3-(2-methoxyethoxymethoxy)-2-methylbutoxy]-diphenylsilane
CID 21678644
(6R)-2,2,26,26-tetramethyl-6-(oxan-2-yloxy)-3,3-diphenyl-4,8-dioxa-25-thia-3-silaheptacosane
CID 67391522
(4R)-4-[(1S)-1-[tert-butyl(diphenyl)silyl]oxy-3,3-diethoxypropyl]-1,3-oxathiolane-2-thione
CID 155642227
tert-butyl-[(1S)-3,3-diethoxy-1-[(2S)-thiiran-2-yl]propoxy]-diphenylsilane
CID 155642232
tert-butyl-[(2R)-5-ethoxy-2-ethylthiolan-3-yl]oxy-diphenylsilane;(2S)-2-[(2S)-4,4-diethoxybutan-2-yl]thiirane
CID 160735381

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane (CID 11037628) is tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane is C[C@H]1CC2(C[C@@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O1)SCCS2.
What is the InChIKey of tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane?
The InChIKey is HPPVVWZDTVVBHK-SIKLNZKXSA-N. The full InChI is InChI=1S/C24H32O2S2Si/c1-19-17-24(27-15-16-28-24)18-22(25-19)26-29(23(2,3)4,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,19,22H,15-18H2,1-4H3/t19-,22+/m0/s1.
What are the key properties of tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane?
tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane has a molecular weight of 444.74 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(7R,9S)-9-methyl-8-oxa-1,4-dithiaspiro[4.5]decan-7-yl]oxy]-diphenylsilane is sourced from PubChem (CID 11037628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).