tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane

C23H48O2Si2 — CID 134960246

IUPACtert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane
SMILESC=CC/C(C)=C/[C@@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-13-16-20(2)19-21(25-27(11,12)23(6,7)8)17-14-15-18-24-26(9,10)22(3,4)5/h13,19,21H,1,14-18H2,2-12H3/b20-19+/t21-/m1/s1
InChIKeyGUFYEKISJLPKEJ-RABMLOOZSA-N
MW412.81 g/mol
LogP8.09
Rot. Bonds11

About tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane

tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane (PubChem CID 134960246) has the molecular formula C23H48O2Si2 and a molecular weight of 412.81 g/mol. Its IUPAC name is tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane
PubChem CID134960246
Molecular FormulaC23H48O2Si2
Molecular Weight412.81 g/mol
Exact Mass412.32
IUPAC Nametert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane
SMILESC=CC/C(C)=C/[C@@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H48O2Si2/c1-13-16-20(2)19-21(25-27(11,12)23(6,7)8)17-14-15-18-24-26(9,10)22(3,4)5/h13,19,21H,1,14-18H2,2-12H3/b20-19+/t21-/m1/s1
InChIKeyGUFYEKISJLPKEJ-RABMLOOZSA-N
XLogP8.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.81
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)hexyloxy-
CID 91697249
tert-butyl-[(2E)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-trimethylsilyloxycyclopenten-1-yl]penta-2,4-dienoxy]-dimethylsilane
CID 11038372
tert-butyl-[(3S,4S,5E,8R)-3,6-dimethyl-8-triethylsilyloxyundeca-1,5-dien-4-yl]oxy-dimethylsilane
CID 11430610
tert-butyl-[(Z,2R,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptadec-8-en-2-yl]oxy-dimethylsilane
CID 25258171
tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane
CID 44604041
(E,5S,9R)-5-[tert-butyl(dimethyl)silyl]oxydodec-6-ene-1,9-diol
CID 134837176
Tert-butyl-dimethyl-(2-trimethylsilyloxycyclohex-2-en-1-yl)oxysilane
CID 134858143
[(2E,11E)-7,16-dimethylidene-10-triethylsilyloxycyclooctadeca-2,11-dien-1-yl]oxy-triethylsilane
CID 134930766
[(E,1R,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methyl-1-(2-methylidenepent-4-enyl)non-3-enoxy]-tert-butyl-dimethylsilane
CID 134960457
triethyl-[(2E)-1-(3-methyl-2-methylidenebutyl)-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020840
triethyl-[(2E)-1-(2-methylprop-2-enyl)-3-triethylsilylhexa-2,5-dienoxy]silane
CID 135020841
[(2E,12E)-3,12-dimethyl-11-triethylsilyloxytetradeca-2,7,12-trien-4-yl]oxy-triethylsilane
CID 135066594

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane (CID 134960246) is tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane is C=CC/C(C)=C/[C@@H](CCCCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane?
The InChIKey is GUFYEKISJLPKEJ-RABMLOOZSA-N. The full InChI is InChI=1S/C23H48O2Si2/c1-13-16-20(2)19-21(25-27(11,12)23(6,7)8)17-14-15-18-24-26(9,10)22(3,4)5/h13,19,21H,1,14-18H2,2-12H3/b20-19+/t21-/m1/s1.
What are the key properties of tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane?
tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane has a molecular weight of 412.81 g/mol, XLogP of 8.09, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyldeca-6,9-dienoxy]-dimethylsilane is sourced from PubChem (CID 134960246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).