tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane

C23H38OSi — CID 59479992

IUPACtert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
SMILESCC(=CCCc1ccccc1)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H38OSi/c1-20(14-12-18-22-16-9-8-10-17-22)13-11-15-21(2)19-24-25(6,7)23(3,4)5/h8-10,14-17H,11-13,18-19H2,1-7H3/b20-14?,21-15+
InChIKeyCFARRJSJLCJZQJ-FOUGXWNNSA-N
MW358.64 g/mol
LogP7.31
Rot. Bonds9

About tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane

tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane (PubChem CID 59479992) has the molecular formula C23H38OSi and a molecular weight of 358.64 g/mol. Its IUPAC name is tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
PubChem CID59479992
Molecular FormulaC23H38OSi
Molecular Weight358.64 g/mol
Exact Mass358.27
IUPAC Nametert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
SMILESCC(=CCCc1ccccc1)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H38OSi/c1-20(14-12-18-22-16-9-8-10-17-22)13-11-15-21(2)19-24-25(6,7)23(3,4)5/h8-10,14-17H,11-13,18-19H2,1-7H3/b20-14?,21-15+
InChIKeyCFARRJSJLCJZQJ-FOUGXWNNSA-N
XLogP7.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
CID 10979583
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
tri(propan-2-yl)-[(2E,6E,10E)-2,6,10-trimethyl-12-phenyldodeca-2,6,10-trienoxy]silane
CID 89432026
2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid
CID 88524635
tert-butyl-dimethyl-[(Z)-2-methylhex-2-enoxy]silane
CID 89381539
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal
CID 10466927
4-methyl-7-phenylhept-4-en-1-ol
CID 71353866
methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
CID 14805432
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71340946
tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
[(2S,6E,10E)-4-(benzenesulfonyl)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienoxy]-tert-butyl-dimethylsilane
CID 11421605

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane (CID 59479992) is tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane is CC(=CCCc1ccccc1)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane?
The InChIKey is CFARRJSJLCJZQJ-FOUGXWNNSA-N. The full InChI is InChI=1S/C23H38OSi/c1-20(14-12-18-22-16-9-8-10-17-22)13-11-15-21(2)19-24-25(6,7)23(3,4)5/h8-10,14-17H,11-13,18-19H2,1-7H3/b20-14?,21-15+.
What are the key properties of tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane?
tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane has a molecular weight of 358.64 g/mol, XLogP of 7.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 59479992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).