tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane

C16H32O3S2Si — CID 11003025

IUPACtert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane
SMILESCC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)C2SCCCS2)O1
InChIInChI=1S/C16H32O3S2Si/c1-15(2,3)22(6,7)19-13(14-20-9-8-10-21-14)12-11-17-16(4,5)18-12/h12-14H,8-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyBPNRYHCERLLDQC-CHWSQXEVSA-N
MW364.65 g/mol
LogP4.72
Rot. Bonds4

About tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane

tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane (PubChem CID 11003025) has the molecular formula C16H32O3S2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane
PubChem CID11003025
Molecular FormulaC16H32O3S2Si
Molecular Weight364.65 g/mol
Exact Mass364.16
IUPAC Nametert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane
SMILESCC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)C2SCCCS2)O1
InChIInChI=1S/C16H32O3S2Si/c1-15(2,3)22(6,7)19-13(14-20-9-8-10-21-14)12-11-17-16(4,5)18-12/h12-14H,8-11H2,1-7H3/t12-,13-/m1/s1
InChIKeyBPNRYHCERLLDQC-CHWSQXEVSA-N
XLogP4.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.65
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane with MolForge

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Related Compounds

[2-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-dithian-2-yl]-trimethylsilane
CID 10902863
[(3aR,6R,7S,7aR)-6-ethylsulfanyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 10970122
tert-butyl-[(2S)-1-[(4S,5R)-5-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]oxy-dimethylsilane
CID 11429296
tert-butyl-[[(4R,5R)-5-(1,3-dithian-2-ylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11717824
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-[(2-methyl-1,3-dithian-2-yl)methyl]-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11718131
tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1,3-dithian-2-yl)propan-2-yl]oxy-dimethylsilane
CID 44190691
tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[2-[2-[(2R)-oxiran-2-yl]ethylsulfanyl]-1,3-dithian-2-yl]propan-2-yl]oxy-dimethylsilane
CID 44190776
tert-butyl-[(1S)-1-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-2,2-bis(ethylsulfanyl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 101222017
tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-dimethylsilane
CID 101747246
[(3aR,6S,7S,7aR)-6-[bis(methylsulfanyl)methyl]-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 132534732

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane (CID 11003025) is tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane is CC1(C)OC[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)C2SCCCS2)O1.
What is the InChIKey of tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane?
The InChIKey is BPNRYHCERLLDQC-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H32O3S2Si/c1-15(2,3)22(6,7)19-13(14-20-9-8-10-21-14)12-11-17-16(4,5)18-12/h12-14H,8-11H2,1-7H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane?
tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane has a molecular weight of 364.65 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-dithian-2-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 11003025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).