tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane

C18H38O2Si2 — CID 171474557

IUPACtert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-13-15(19-21(9,10)17(3,4)5)16(14-2)20-22(11,12)18(6,7)8/h13-16H,1-2H2,3-12H3/t15-,16-/m1/s1
InChIKeyNABGEQXQVDDDJR-HZPDHXFCSA-N
MW342.67 g/mol
LogP6.14
Rot. Bonds7

About tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane (PubChem CID 171474557) has the molecular formula C18H38O2Si2 and a molecular weight of 342.67 g/mol. Its IUPAC name is tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane
PubChem CID171474557
Molecular FormulaC18H38O2Si2
Molecular Weight342.67 g/mol
Exact Mass342.24
IUPAC Nametert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane
SMILESC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O2Si2/c1-13-15(19-21(9,10)17(3,4)5)16(14-2)20-22(11,12)18(6,7)8/h13-16H,1-2H2,3-12H3/t15-,16-/m1/s1
InChIKeyNABGEQXQVDDDJR-HZPDHXFCSA-N
XLogP6.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.67
LogP ≤ 56.14
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-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane (CID 171474557) is tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane is C=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane?
The InChIKey is NABGEQXQVDDDJR-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H38O2Si2/c1-13-15(19-21(9,10)17(3,4)5)16(14-2)20-22(11,12)18(6,7)8/h13-16H,1-2H2,3-12H3/t15-,16-/m1/s1.
What are the key properties of tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane has a molecular weight of 342.67 g/mol, XLogP of 6.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 171474557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).