tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane

C20H42O2Si2 — CID 58139621

IUPACtert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane
SMILESCC#C[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/h17-18H,15-16H2,1-12H3/t17-,18-/m0/s1
InChIKeyXAHJOSBOFWGASN-ROUUACIJSA-N
MW370.73 g/mol
LogP6.45
Rot. Bonds7

About tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane

tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane (PubChem CID 58139621) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane
PubChem CID58139621
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Nametert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane
SMILESCC#C[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/h17-18H,15-16H2,1-12H3/t17-,18-/m0/s1
InChIKeyXAHJOSBOFWGASN-ROUUACIJSA-N
XLogP6.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane (CID 58139621) is tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane is CC#C[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,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane?
The InChIKey is XAHJOSBOFWGASN-ROUUACIJSA-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/h17-18H,15-16H2,1-12H3/t17-,18-/m0/s1.
What are the key properties of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane?
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane has a molecular weight of 370.73 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhept-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 58139621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).