tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane

C21H44O2Si2 — CID 10915999

IUPACtert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane
SMILESC#CC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-14-15-17(2)19(23-25(12,13)21(7,8)9)18(3)16-22-24(10,11)20(4,5)6/h1,17-19H,15-16H2,2-13H3/t17-,18+,19+/m0/s1
InChIKeySXZPZZMXIWECNA-IPMKNSEASA-N
MW384.75 g/mol
LogP6.69
Rot. Bonds8

About tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane

tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane (PubChem CID 10915999) has the molecular formula C21H44O2Si2 and a molecular weight of 384.75 g/mol. Its IUPAC name is tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane
PubChem CID10915999
Molecular FormulaC21H44O2Si2
Molecular Weight384.75 g/mol
Exact Mass384.29
IUPAC Nametert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane
SMILESC#CC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-14-15-17(2)19(23-25(12,13)21(7,8)9)18(3)16-22-24(10,11)20(4,5)6/h1,17-19H,15-16H2,2-13H3/t17-,18+,19+/m0/s1
InChIKeySXZPZZMXIWECNA-IPMKNSEASA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 56.69
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

Silane, dimethyl(2-methyloct-5-yn-4-yloxy)hexyloxy-
CID 91737718
tert-butyl-[(2S,5S,6R)-2,6-dimethyl-5-triethylsilyloxyoct-7-ynoxy]-dimethylsilane
CID 10548918
triethyl-[(3R,4R,6S,7R)-3,5,7-trimethyl-6-triethylsilyloxynona-1,8-diyn-4-yl]oxysilane
CID 11384680
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-ynoxy]-dimethylsilane
CID 11544935
tert-butyl-dimethyl-[(3R,4S)-4-methyl-3-triethylsilyloxyhex-5-ynoxy]silane
CID 11602878
[(1R,2S,3S,4R)-1-[(2S)-butan-2-yl]-2,4-dimethyl-3-trimethylsilyloxyhept-5-ynoxy]-tert-butyl-dimethylsilane
CID 25107594
(3R,4R,5S,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4,6-dimethyl-1-trimethylsilylhept-1-yn-3-ol
CID 101756872
tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane
CID 134844756
[(2S)-2-methylhept-6-ynoxy]-tri(propan-2-yl)silane
CID 134845952
[(1R,3S,4R)-3-dimethylsilyloxy-2,4-dimethyl-1-[(2R)-pent-3-yn-2-yl]hept-5-ynoxy]-dimethylsilane
CID 134846317
tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane
CID 134860931
CID 134969845
CID 134969845

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane (CID 10915999) is tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane is C#CC[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane?
The InChIKey is SXZPZZMXIWECNA-IPMKNSEASA-N. The full InChI is InChI=1S/C21H44O2Si2/c1-14-15-17(2)19(23-25(12,13)21(7,8)9)18(3)16-22-24(10,11)20(4,5)6/h1,17-19H,15-16H2,2-13H3/t17-,18+,19+/m0/s1.
What are the key properties of tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane?
tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane has a molecular weight of 384.75 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-6-ynoxy]-dimethylsilane is sourced from PubChem (CID 10915999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).