tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane

C16H34O3S2Si — CID 133083358

IUPACtert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane
SMILESCOCO[C@@H](C1SCCS1)C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3S2Si/c1-15(2,3)22(7,8)19-11-16(4,5)13(18-12-17-6)14-20-9-10-21-14/h13-14H,9-12H2,1-8H3/t13-/m0/s1
InChIKeyNUKLKYMMUAKIQL-ZDUSSCGKSA-N
MW366.67 g/mol
LogP4.83
Rot. Bonds8

About tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane

tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane (PubChem CID 133083358) has the molecular formula C16H34O3S2Si and a molecular weight of 366.67 g/mol. Its IUPAC name is tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane
PubChem CID133083358
Molecular FormulaC16H34O3S2Si
Molecular Weight366.67 g/mol
Exact Mass366.17
IUPAC Nametert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane
SMILESCOCO[C@@H](C1SCCS1)C(C)(C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O3S2Si/c1-15(2,3)22(7,8)19-11-16(4,5)13(18-12-17-6)14-20-9-10-21-14/h13-14H,9-12H2,1-8H3/t13-/m0/s1
InChIKeyNUKLKYMMUAKIQL-ZDUSSCGKSA-N
XLogP4.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.67
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(2S)-2-(1,3-dithian-2-yl)propoxy]-dimethylsilane
CID 11185456
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropane-1,1-diol
CID 123722416
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
(2S,3S)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3-(methoxymethoxy)butan-2-ol
CID 101252863
(3S,4S,5R)-6-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-2,5-dimethylhexan-3-ol
CID 15280451
tert-butyl-(2,2-difluoropropoxy)-dimethylsilane
CID 123170783
tert-butyl-[(2R,3S,4S,5R)-5-(1,3-dithiolan-2-yl)-2,3,4,5-tetrakis(phenylmethoxy)pentoxy]-dimethylsilane
CID 102308416
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-3,4-bis(methoxymethoxy)pentan-2-one
CID 10948163
5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,4-dimethylpentanal
CID 102015279
tert-butyl-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-dimethylsilane
CID 86731309
[(1R,2S,3S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(methoxymethoxy)cyclopentyl]methanol
CID 172645705
(E)-1-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)hept-3-ene-2,5-dione
CID 101151250

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane (CID 133083358) is tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane is COCO[C@@H](C1SCCS1)C(C)(C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane?
The InChIKey is NUKLKYMMUAKIQL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H34O3S2Si/c1-15(2,3)22(7,8)19-11-16(4,5)13(18-12-17-6)14-20-9-10-21-14/h13-14H,9-12H2,1-8H3/t13-/m0/s1.
What are the key properties of tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane?
tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane has a molecular weight of 366.67 g/mol, XLogP of 4.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-3-(1,3-dithiolan-2-yl)-3-(methoxymethoxy)-2,2-dimethylpropoxy]-dimethylsilane is sourced from PubChem (CID 133083358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).