tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane

C22H48O2S2Si2 — CID 11016070

IUPACtert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C1SCCCS1)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O2S2Si2/c1-20(2,3)27(9,10)23-15-14-18(24-28(11,12)21(4,5)6)22(7,8)19-25-16-13-17-26-19/h18-19H,13-17H2,1-12H3/t18-/m0/s1
InChIKeyBSRGYMIKROEMPL-SFHVURJKSA-N
MW464.93 g/mol
LogP8.01
Rot. Bonds8

About tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane (PubChem CID 11016070) has the molecular formula C22H48O2S2Si2 and a molecular weight of 464.93 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane
PubChem CID11016070
Molecular FormulaC22H48O2S2Si2
Molecular Weight464.93 g/mol
Exact Mass464.26
IUPAC Nametert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane
SMILESCC(C)(C1SCCCS1)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H48O2S2Si2/c1-20(2,3)27(9,10)23-15-14-18(24-28(11,12)21(4,5)6)22(7,8)19-25-16-13-17-26-19/h18-19H,13-17H2,1-12H3/t18-/m0/s1
InChIKeyBSRGYMIKROEMPL-SFHVURJKSA-N
XLogP8.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.93
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane (CID 11016070) is tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane is CC(C)(C1SCCCS1)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane?
The InChIKey is BSRGYMIKROEMPL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H48O2S2Si2/c1-20(2,3)27(9,10)23-15-14-18(24-28(11,12)21(4,5)6)22(7,8)19-25-16-13-17-26-19/h18-19H,13-17H2,1-12H3/t18-/m0/s1.
What are the key properties of tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane has a molecular weight of 464.93 g/mol, XLogP of 8.01, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(1,3-dithian-2-yl)-4-methylpentan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 11016070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).