tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane

C19H38O4Si — CID 10021342

IUPACtert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane
SMILESCC1(C)OCC(CC[C@H]2OCCCC[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O4Si/c1-18(2,3)24(6,7)23-17-10-8-9-13-20-16(17)12-11-15-14-21-19(4,5)22-15/h15-17H,8-14H2,1-7H3/t15?,16-,17+/m1/s1
InChIKeyZFAVKSCQCJTIMP-FGJGXXMFSA-N
MW358.60 g/mol
LogP4.88
Rot. Bonds5

About tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane (PubChem CID 10021342) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane
PubChem CID10021342
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Nametert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane
SMILESCC1(C)OCC(CC[C@H]2OCCCC[C@@H]2O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C19H38O4Si/c1-18(2,3)24(6,7)23-17-10-8-9-13-20-16(17)12-11-15-14-21-19(4,5)22-15/h15-17H,8-14H2,1-7H3/t15?,16-,17+/m1/s1
InChIKeyZFAVKSCQCJTIMP-FGJGXXMFSA-N
XLogP4.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.88
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

[(1R)-1-[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1,6-dioxaspiro[4.4]nonan-2-yl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-tert-butyl-dimethylsilane
CID 11365927
tert-butyl-[(1R)-1-[(2R,5R)-5-[(2R,5R)-5-[(1R,4R)-11-iodo-1,4-bis(methoxymethoxy)undecyl]oxolan-2-yl]oxolan-2-yl]tridecoxy]-dimethylsilane
CID 11564149
[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane
CID 135014563
tert-butyl-[[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 135020649
tert-butyl-[(1S,3S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(methoxymethoxy)hexoxy]-dimethylsilane
CID 135023555
[(4R,5S)-5-[(2R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)tridecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 138967740
tert-butyl-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]methoxy]-dimethylsilane
CID 138980909
tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxan-3-yl]oxy-dimethylsilane
CID 10246933
tert-butyl-[(1R)-1-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-yl]tridecoxy]-dimethylsilane
CID 10791058
[(5S)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxytridecyl]oxolan-2-yl] acetate
CID 10863146
(1R,2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]heptane-1,3-diol
CID 10948454
tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane
CID 58429893

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane (CID 10021342) is tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane is CC1(C)OCC(CC[C@H]2OCCCC[C@@H]2O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane?
The InChIKey is ZFAVKSCQCJTIMP-FGJGXXMFSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-18(2,3)24(6,7)23-17-10-8-9-13-20-16(17)12-11-15-14-21-19(4,5)22-15/h15-17H,8-14H2,1-7H3/t15?,16-,17+/m1/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane has a molecular weight of 358.60 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]oxepan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10021342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).