tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane

C23H48O2Si2 — CID 91433527

IUPACtert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane
SMILESCC=CC(C)=C[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-14-15-19(2)18-20(3)21(25-27(12,13)23(7,8)9)16-17-24-26(10,11)22(4,5)6/h14-15,18,20-21H,16-17H2,1-13H3/t20-,21-/m0/s1
InChIKeyNESPPNSEPDKACA-SFTDATJTSA-N
MW412.81 g/mol
LogP7.95
Rot. Bonds9

About tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane

tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane (PubChem CID 91433527) has the molecular formula C23H48O2Si2 and a molecular weight of 412.81 g/mol. Its IUPAC name is tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane
PubChem CID91433527
Molecular FormulaC23H48O2Si2
Molecular Weight412.81 g/mol
Exact Mass412.32
IUPAC Nametert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane
SMILESCC=CC(C)=C[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-14-15-19(2)18-20(3)21(25-27(12,13)23(7,8)9)16-17-24-26(10,11)22(4,5)6/h14-15,18,20-21H,16-17H2,1-13H3/t20-,21-/m0/s1
InChIKeyNESPPNSEPDKACA-SFTDATJTSA-N
XLogP7.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.81
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(E,2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-7-iodo-5-methyloct-6-en-2-yl]oxy-dimethylsilane
CID 24756021
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
tert-butyl-[(Z,2S,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-7-iodo-2,4,6-trimethylhept-5-enoxy]-dimethylsilane
CID 87797735
tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 11417041
tert-butyl-[(E,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-6-tributylstannylhex-5-enoxy]-dimethylsilane
CID 11700228
tert-butyl-[(3R,4S,5Z)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148323
tert-butyl-[(3R,4S,5E)-2,4-dimethylocta-5,7-dien-3-yl]oxy-dimethylsilane
CID 12148324
tert-butyl-[(2R,3S,4R,5S,6S,7Z)-1-iodo-2,4,6-trimethyl-5-triethylsilyloxydeca-7,9-dien-3-yl]oxy-dimethylsilane
CID 16069310
(3S,4Z,6E,8R,9R,10E)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-8,10,13-trimethyltetradeca-4,6,10-trien-1-ol
CID 60153235
[(5E)-4-[(1E)-buta-1,3-dienyl]octa-5,7-dienoxy]-tert-butyl-dimethylsilane
CID 102150886
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 102153641
(2R,4E,6E,8R,9R)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,8-trimethylundeca-4,6-dien-1-ol
CID 134887155

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane (CID 91433527) is tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane is CC=CC(C)=C[C@H](C)[C@H](CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane?
The InChIKey is NESPPNSEPDKACA-SFTDATJTSA-N. The full InChI is InChI=1S/C23H48O2Si2/c1-14-15-19(2)18-20(3)21(25-27(12,13)23(7,8)9)16-17-24-26(10,11)22(4,5)6/h14-15,18,20-21H,16-17H2,1-13H3/t20-,21-/m0/s1.
What are the key properties of tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane?
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane has a molecular weight of 412.81 g/mol, XLogP of 7.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-5,7-dienoxy]-dimethylsilane is sourced from PubChem (CID 91433527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).