tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane

C20H42O2Si2 — CID 15416504

IUPACtert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-13-15-17(21-23(9,10)19(3,4)5)18(16-14-2)22-24(11,12)20(6,7)8/h13-14,17-18H,1-2,15-16H2,3-12H3/t17-,18-/m1/s1
InChIKeyVWSUHIRMUUMRFO-QZTJIDSGSA-N
MW370.73 g/mol
LogP6.92
Rot. Bonds9

About tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane

tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane (PubChem CID 15416504) has the molecular formula C20H42O2Si2 and a molecular weight of 370.73 g/mol. Its IUPAC name is tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
PubChem CID15416504
Molecular FormulaC20H42O2Si2
Molecular Weight370.73 g/mol
Exact Mass370.27
IUPAC Nametert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane
SMILESC=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O2Si2/c1-13-15-17(21-23(9,10)19(3,4)5)18(16-14-2)22-24(11,12)20(6,7)8/h13-14,17-18H,1-2,15-16H2,3-12H3/t17-,18-/m1/s1
InChIKeyVWSUHIRMUUMRFO-QZTJIDSGSA-N
XLogP6.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.73
LogP ≤ 56.92
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-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoxy]-dimethylsilane
CID 11336491
4-(Triisopropylsiloxy)-1,6-heptadiene
CID 11437113
tert-butyl-[(4R)-hept-1-en-4-yl]oxy-dimethylsilane
CID 17748151
(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,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 11417041
tert-butyl-dimethyl-[(Z,2S)-1-triethylsilyloxydec-4-en-2-yl]oxysilane
CID 11475089
triethyl-[(Z)-1-trimethylsilylnon-1-en-4-yl]oxysilane
CID 11953737
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-1-ethynylhex-5-enoxy]-dimethylsilane
CID 15422449
tert-butyl-[(4R,6R)-4-[tert-butyl(dimethyl)silyl]oxynonadec-1-en-6-yl]oxy-dimethylsilane
CID 46180567
tert-butyl-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyhept-6-enoxy]-dimethylsilane
CID 72948039
Tert-butyl-hept-1-en-4-yloxy-dimethylsilane
CID 73407380

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane (CID 15416504) is tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane is C=CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane?
The InChIKey is VWSUHIRMUUMRFO-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H42O2Si2/c1-13-15-17(21-23(9,10)19(3,4)5)18(16-14-2)22-24(11,12)20(6,7)8/h13-14,17-18H,1-2,15-16H2,3-12H3/t17-,18-/m1/s1.
What are the key properties of tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane?
tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane has a molecular weight of 370.73 g/mol, XLogP of 6.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxyocta-1,7-dien-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 15416504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).