tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane

C30H46OSi — CID 153444046

IUPACtert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
SMILESCC(C)=CCC(CC(CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46OSi/c1-25(2)21-22-29(27-18-12-9-13-19-27)24-28(26-16-10-8-11-17-26)20-14-15-23-31-32(6,7)30(3,4)5/h8-13,16-19,21,28-29H,14-15,20,22-24H2,1-7H3
InChIKeyJXIGQWFTNDQWIJ-UHFFFAOYSA-N
MW450.78 g/mol
LogP9.49
Rot. Bonds12

About tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane

tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane (PubChem CID 153444046) has the molecular formula C30H46OSi and a molecular weight of 450.78 g/mol. Its IUPAC name is tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
PubChem CID153444046
Molecular FormulaC30H46OSi
Molecular Weight450.78 g/mol
Exact Mass450.33
IUPAC Nametert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane
SMILESCC(C)=CCC(CC(CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46OSi/c1-25(2)21-22-29(27-18-12-9-13-19-27)24-28(26-16-10-8-11-17-26)20-14-15-23-31-32(6,7)30(3,4)5/h8-13,16-19,21,28-29H,14-15,20,22-24H2,1-7H3
InChIKeyJXIGQWFTNDQWIJ-UHFFFAOYSA-N
XLogP9.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.78
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

tert-butyl-[8-[tert-butyl(dimethyl)silyl]oxy-1-phenyloctoxy]-dimethylsilane
CID 10789748
lithium;tert-butyl-dimethyl-propoxysilane;ethylbenzene;(Z)-6-methyl-3,9-diphenyltridec-6-ene-1,13-diol
CID 161187682
2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione
CID 54754261
(1S)-5-[tert-butyl(dimethyl)silyl]oxy-N,N-dimethyl-1-phenylpentane-1-sulfonamide
CID 91798381
14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
CID 67997848
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
(8E)-9,13-dimethyl-4,6-diphenyltetradeca-8,12-dien-1-ol
CID 153444054
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
tert-butyl-[(7S)-7-fluoro-9-phenylnonoxy]-dimethylsilane
CID 135068187
tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
CID 11364212
tert-butyl-[4-[dimethyl(phenyl)silyl]butoxy]-dimethylsilane
CID 102153241

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane (CID 153444046) is tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane is CC(C)=CCC(CC(CCCCO[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane?
The InChIKey is JXIGQWFTNDQWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46OSi/c1-25(2)21-22-29(27-18-12-9-13-19-27)24-28(26-16-10-8-11-17-26)20-14-15-23-31-32(6,7)30(3,4)5/h8-13,16-19,21,28-29H,14-15,20,22-24H2,1-7H3.
What are the key properties of tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane?
tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane has a molecular weight of 450.78 g/mol, XLogP of 9.49, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(10-methyl-5,7-diphenylundec-9-enoxy)silane is sourced from PubChem (CID 153444046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).