[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane

C47H56O4Si — CID 59381468

IUPAC[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
SMILESCOc1ccc(C(OCCCCC/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C47H56O4Si/c1-46(2,3)52(44-25-17-13-18-26-44,45-27-19-14-20-28-45)51-38-22-11-9-7-6-8-10-21-37-50-47(39-23-15-12-16-24-39,40-29-33-42(48-4)34-30-40)41-31-35-43(49-5)36-32-41/h7,9,12-20,23-36H,6,8,10-11,21-22,37-38H2,1-5H3/b9-7+
InChIKeyJKOMTZJNJCWFJF-VQHVLOKHSA-N
MW713.05 g/mol
LogP10.49
Rot. Bonds19

About [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane

[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane (PubChem CID 59381468) has the molecular formula C47H56O4Si and a molecular weight of 713.05 g/mol. Its IUPAC name is [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
PubChem CID59381468
Molecular FormulaC47H56O4Si
Molecular Weight713.05 g/mol
Exact Mass712.39
IUPAC Name[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane
SMILESCOc1ccc(C(OCCCCC/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C47H56O4Si/c1-46(2,3)52(44-25-17-13-18-26-44,45-27-19-14-20-28-45)51-38-22-11-9-7-6-8-10-21-37-50-47(39-23-15-12-16-24-39,40-29-33-42(48-4)34-30-40)41-31-35-43(49-5)36-32-41/h7,9,12-20,23-36H,6,8,10-11,21-22,37-38H2,1-5H3/b9-7+
InChIKeyJKOMTZJNJCWFJF-VQHVLOKHSA-N
XLogP10.49
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.05
LogP ≤ 510.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-diphenyl-(8-trityloxyoctoxy)silane
CID 102242281
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
[(3S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3-methoxybutoxy]-tert-butyl-diphenylsilane
CID 101226506
(2S)-1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-[tert-butyl(diphenyl)silyl]oxypropan-2-ol
CID 142497064
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
1-[dodecoxy-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 101094688
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
[(2R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 154592632
[(2S)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(2-methoxyethoxy)propoxy]-tert-butyl-diphenylsilane
CID 176837310

Frequently Asked Questions

What is the IUPAC name of [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane?
The IUPAC name of [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane (CID 59381468) is [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane.
What is the SMILES notation for [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane?
The canonical SMILES for [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane is COc1ccc(C(OCCCCC/C=C/CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane?
The InChIKey is JKOMTZJNJCWFJF-VQHVLOKHSA-N. The full InChI is InChI=1S/C47H56O4Si/c1-46(2,3)52(44-25-17-13-18-26-44,45-27-19-14-20-28-45)51-38-22-11-9-7-6-8-10-21-37-50-47(39-23-15-12-16-24-39,40-29-33-42(48-4)34-30-40)41-31-35-43(49-5)36-32-41/h7,9,12-20,23-36H,6,8,10-11,21-22,37-38H2,1-5H3/b9-7+.
What are the key properties of [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane?
[(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane has a molecular weight of 713.05 g/mol, XLogP of 10.49, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-10-[bis(4-methoxyphenyl)-phenylmethoxy]dec-4-enoxy]-tert-butyl-diphenylsilane is sourced from PubChem (CID 59381468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).