tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane

C20H44O3Si2 — CID 72948039

IUPACtert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
SMILESC=CC[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-13-14-17(23-25(11,12)20(5,6)7)15-18(21-8)16-22-24(9,10)19(2,3)4/h13,17-18H,1,14-16H2,2-12H3/t17-,18-/m1/s1
InChIKeyDKSOBLGGULGKNS-QZTJIDSGSA-N
MW388.74 g/mol
LogP6.38
Rot. Bonds10

About tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane

tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane (PubChem CID 72948039) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
PubChem CID72948039
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Nametert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
SMILESC=CC[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-13-14-17(23-25(11,12)20(5,6)7)15-18(21-8)16-22-24(9,10)19(2,3)4/h13,17-18H,1,14-16H2,2-12H3/t17-,18-/m1/s1
InChIKeyDKSOBLGGULGKNS-QZTJIDSGSA-N
XLogP6.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane (CID 72948039) is tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane is C=CC[C@H](C[C@H](CO[Si](C)(C)C(C)(C)C)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane?
The InChIKey is DKSOBLGGULGKNS-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-13-14-17(23-25(11,12)20(5,6)7)15-18(21-8)16-22-24(9,10)19(2,3)4/h13,17-18H,1,14-16H2,2-12H3/t17-,18-/m1/s1.
What are the key properties of tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane?
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane has a molecular weight of 388.74 g/mol, XLogP of 6.38, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane is sourced from PubChem (CID 72948039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).