tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane

C19H42O2Si2 — CID 102075587

IUPACtert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane
SMILESC=CC[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H42O2Si2/c1-11-15-18(21-23(12-2,13-3)14-4)16-17(5)20-22(9,10)19(6,7)8/h11,17-18H,1,12-16H2,2-10H3/t17-,18-/m1/s1
InChIKeyMAAWBKZSEFDHAO-QZTJIDSGSA-N
MW358.72 g/mol
LogP6.75
Rot. Bonds11

About tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane

tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane (PubChem CID 102075587) has the molecular formula C19H42O2Si2 and a molecular weight of 358.72 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane
PubChem CID102075587
Molecular FormulaC19H42O2Si2
Molecular Weight358.72 g/mol
Exact Mass358.27
IUPAC Nametert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane
SMILESC=CC[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C19H42O2Si2/c1-11-15-18(21-23(12-2,13-3)14-4)16-17(5)20-22(9,10)19(6,7)8/h11,17-18H,1,12-16H2,2-10H3/t17-,18-/m1/s1
InChIKeyMAAWBKZSEFDHAO-QZTJIDSGSA-N
XLogP6.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.72
LogP ≤ 56.75
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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Related Compounds

tert-butyl-[(1S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
CID 9885624
(S)-1,3-Di-[(tert-butyldimethylsilyloxy)]-4-methyl-4-pentene
CID 11336893
tert-butyl-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 11336491
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
tert-Butyldimethyl (1-methylhex-5-enyloxy)silane
CID 11241664
tert-butyl-[(4R)-hept-1-en-4-yl]oxy-dimethylsilane
CID 17748151
Tert-butyl-dimethyl-oct-1-en-4-yloxysilane
CID 21528007
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
tert-butyl-[(3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 135034833
tert-butyl-[(3S,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 151528866
1,3-bis[(1-Ethenylhexyl)oxy]-1,1,3,3-tetramethyldisiloxane
CID 91720811
Tert-butyl-dimethyl-oct-1-en-4-ylperoxysilane
CID 10491465

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane (CID 102075587) is tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane is C=CC[C@H](C[C@@H](C)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane?
The InChIKey is MAAWBKZSEFDHAO-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H42O2Si2/c1-11-15-18(21-23(12-2,13-3)14-4)16-17(5)20-22(9,10)19(6,7)8/h11,17-18H,1,12-16H2,2-10H3/t17-,18-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane has a molecular weight of 358.72 g/mol, XLogP of 6.75, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,4R)-4-triethylsilyloxyhept-6-en-2-yl]oxysilane is sourced from PubChem (CID 102075587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).