[(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane

C28H44O4Si2 — CID 68525612

IUPAC[(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane
SMILESCOc1cccc(CCC/C(O[Si](C)(C)C)=C(/CCCc2cccc(OC)c2)O[Si](C)(C)C)c1
InChIInChI=1S/C28H44O4Si2/c1-29-25-17-9-13-23(21-25)15-11-19-27(31-33(3,4)5)28(32-34(6,7)8)20-12-16-24-14-10-18-26(22-24)30-2/h9-10,13-14,17-18,21-22H,11-12,15-16,19-20H2,1-8H3/b28-27+
InChIKeyYLIZSTFSTQXEPG-BYYHNAKLSA-N
MW500.83 g/mol
LogP7.96
Rot. Bonds14

About [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane

[(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane (PubChem CID 68525612) has the molecular formula C28H44O4Si2 and a molecular weight of 500.83 g/mol. Its IUPAC name is [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane
PubChem CID68525612
Molecular FormulaC28H44O4Si2
Molecular Weight500.83 g/mol
Exact Mass500.28
IUPAC Name[(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane
SMILESCOc1cccc(CCC/C(O[Si](C)(C)C)=C(/CCCc2cccc(OC)c2)O[Si](C)(C)C)c1
InChIInChI=1S/C28H44O4Si2/c1-29-25-17-9-13-23(21-25)15-11-19-27(31-33(3,4)5)28(32-34(6,7)8)20-12-16-24-14-10-18-26(22-24)30-2/h9-10,13-14,17-18,21-22H,11-12,15-16,19-20H2,1-8H3/b28-27+
InChIKeyYLIZSTFSTQXEPG-BYYHNAKLSA-N
XLogP7.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.83
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane
CID 68525614
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
1-(3-methoxyphenyl)heptan-4-one
CID 64502649
1-cyclopropyl-4-(3-methoxyphenyl)butan-1-one
CID 64504307
1-methoxy-3-nonadecylbenzene
CID 154507578
1-(4-chlorobutyl)-3-methoxybenzene
CID 10774359
1-methoxy-3-propylbenzene
CID 14270128
1-methoxy-3-(5-methylhex-4-enyl)benzene
CID 143093894
4-(3-methoxyphenyl)butanal
CID 10821200
2-[10-(3-methoxyphenyl)decyl]phenol
CID 134285067
N-hydroxy-8-(3-methoxyphenyl)octanamide
CID 155529506
[(E)-3,6-bis[(3-methoxyphenyl)methyl]-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane
CID 15120841

Frequently Asked Questions

What is the IUPAC name of [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane (CID 68525612) is [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane is COc1cccc(CCC/C(O[Si](C)(C)C)=C(/CCCc2cccc(OC)c2)O[Si](C)(C)C)c1.
What is the InChIKey of [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane?
The InChIKey is YLIZSTFSTQXEPG-BYYHNAKLSA-N. The full InChI is InChI=1S/C28H44O4Si2/c1-29-25-17-9-13-23(21-25)15-11-19-27(31-33(3,4)5)28(32-34(6,7)8)20-12-16-24-14-10-18-26(22-24)30-2/h9-10,13-14,17-18,21-22H,11-12,15-16,19-20H2,1-8H3/b28-27+.
What are the key properties of [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane?
[(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane has a molecular weight of 500.83 g/mol, XLogP of 7.96, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,8-bis(3-methoxyphenyl)-5-trimethylsilyloxyoct-4-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 68525612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).