tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane

C20H44O2Si2 — CID 24756074

IUPACtert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si2/c1-14-16(2)18(22-24(12,13)20(7,8)9)15-17(3)21-23(10,11)19(4,5)6/h14,16-18H,1,15H2,2-13H3/t16-,17-,18-/m1/s1
InChIKeyXIRFAQJMXQPFCX-KZNAEPCWSA-N
MW372.74 g/mol
LogP7.00
Rot. Bonds8

About tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane (PubChem CID 24756074) has the molecular formula C20H44O2Si2 and a molecular weight of 372.74 g/mol. Its IUPAC name is tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane
PubChem CID24756074
Molecular FormulaC20H44O2Si2
Molecular Weight372.74 g/mol
Exact Mass372.29
IUPAC Nametert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O2Si2/c1-14-16(2)18(22-24(12,13)20(7,8)9)15-17(3)21-23(10,11)19(4,5)6/h14,16-18H,1,15H2,2-13H3/t16-,17-,18-/m1/s1
InChIKeyXIRFAQJMXQPFCX-KZNAEPCWSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.74
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane (CID 24756074) is tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane is C=C[C@@H](C)[C@@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane?
The InChIKey is XIRFAQJMXQPFCX-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H44O2Si2/c1-14-16(2)18(22-24(12,13)20(7,8)9)15-17(3)21-23(10,11)19(4,5)6/h14,16-18H,1,15H2,2-13H3/t16-,17-,18-/m1/s1.
What are the key properties of tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane has a molecular weight of 372.74 g/mol, XLogP of 7.00, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-6-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 24756074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).