tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane

C20H42O2Si2 — CID 11773114

IUPACtert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-13-14-17(2)18(22-24(11,12)20(6,7)8)15-16-21-23(9,10)19(3,4)5/h1,17-18H,14-16H2,2-12H3/t17-,18+/m1/s1
InChIKeyBBTNALCTQBOUNM-MSOLQXFVSA-N
MW370.73 g/mol
LogP6.45
Rot. Bonds8

About tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane

tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane (PubChem CID 11773114) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
PubChem CID11773114
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Nametert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane
SMILESC#CC[C@@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-13-14-17(2)18(22-24(11,12)20(6,7)8)15-16-21-23(9,10)19(3,4)5/h1,17-18H,14-16H2,2-12H3/t17-,18+/m1/s1
InChIKeyBBTNALCTQBOUNM-MSOLQXFVSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhexanenitrile
CID 101210753
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
CID 90919260
[(E,3R,4S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhex-1-enyl]boronic acid
CID 134887511
tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane
CID 56850000
[(3S)-3-bromobutoxy]-tert-butyl-dimethylsilane
CID 125499133
tert-butyl-[(Z,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-phenylhex-5-enoxy]-dimethylsilane
CID 177383661
[(3R)-4-bromo-3-methylbutoxy]-tert-butyl-dimethylsilane
CID 10902026
tert-butyl-dimethyl-[(4S)-oct-1-yn-4-yl]oxysilane
CID 129405343
tert-butyl-[(2R)-hept-6-yn-2-yl]oxy-dimethylsilane
CID 25098862
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-yn-1-ol
CID 91868233

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane (CID 11773114) is tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane is C#CC[C@@H](C)[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,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane?
The InChIKey is BBTNALCTQBOUNM-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-13-14-17(2)18(22-24(11,12)20(6,7)8)15-16-21-23(9,10)19(3,4)5/h1,17-18H,14-16H2,2-12H3/t17-,18+/m1/s1.
What are the key properties of tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane?
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane has a molecular weight of 370.73 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-6-ynoxy]-dimethylsilane is sourced from PubChem (CID 11773114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).