tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane

C25H34O2Si — CID 10763220

IUPACtert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
SMILESCO/C=C\CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O2Si/c1-22(14-12-13-20-26-5)19-21-27-28(25(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-11,13,15-20H,12,14,21H2,1-5H3/b20-13-,22-19+
InChIKeyZXPPHHLMLDLADS-YGZBJQOJSA-N
MW394.63 g/mol
LogP5.45
Rot. Bonds9

About tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane

tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane (PubChem CID 10763220) has the molecular formula C25H34O2Si and a molecular weight of 394.63 g/mol. Its IUPAC name is tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
PubChem CID10763220
Molecular FormulaC25H34O2Si
Molecular Weight394.63 g/mol
Exact Mass394.23
IUPAC Nametert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
SMILESCO/C=C\CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O2Si/c1-22(14-12-13-20-26-5)19-21-27-28(25(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-11,13,15-20H,12,14,21H2,1-5H3/b20-13-,22-19+
InChIKeyZXPPHHLMLDLADS-YGZBJQOJSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-chloro-3,7-dimethylocta-2,6-dienoxy)-diphenylsilane
CID 72997103
(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dien-1-ol
CID 10740934
tert-butyl-[(2E,6E,10Z)-3-ethyl-7,11-dimethyltrideca-2,6,10-trienoxy]-diphenylsilane
CID 10624878
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
[(2E,6E)-8-[tert-butyl(diphenyl)silyl]oxy-2-ethyl-6-methylocta-2,6-dienyl] methanesulfonate
CID 10553464
tert-butyl-diphenyl-[(2Z,6Z,10Z)-3,7,11,15-tetramethyl-9-phenylhexadeca-2,6,10,14-tetraenoxy]silane
CID 140737174
[(E)-6-[tert-butyl(diphenyl)silyl]oxy-1,1-dideuterio-4-methylhex-4-enyl] 4-methylbenzenesulfonate
CID 122395859
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
(E)-8-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-6-methyl-2-methylideneoct-6-enenitrile
CID 10993491
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
(2E,6S,7R,10E)-12-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)-2,6,10-trimethyl-7-triethylsilyloxydodeca-2,10-dien-1-ol
CID 11273873
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane (CID 10763220) is tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane is CO/C=C\CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane?
The InChIKey is ZXPPHHLMLDLADS-YGZBJQOJSA-N. The full InChI is InChI=1S/C25H34O2Si/c1-22(14-12-13-20-26-5)19-21-27-28(25(2,3)4,23-15-8-6-9-16-23)24-17-10-7-11-18-24/h6-11,13,15-20H,12,14,21H2,1-5H3/b20-13-,22-19+.
What are the key properties of tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane?
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane has a molecular weight of 394.63 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane is sourced from PubChem (CID 10763220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).