[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate

C34H54O4Si2 — CID 140771666

IUPAC[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=C/c2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1
InChIInChI=1S/C34H54O4Si2/c1-23(2)39(24(3)4,25(5)6)37-33-20-31(15-14-30-16-18-32(19-17-30)36-29(13)35)21-34(22-33)38-40(26(7)8,27(9)10)28(11)12/h14-28H,1-13H3/b15-14+
InChIKeyJUOFGPWQOBRPKB-CCEZHUSRSA-N
MW582.97 g/mol
LogP10.89
Rot. Bonds13

About [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate

[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate (PubChem CID 140771666) has the molecular formula C34H54O4Si2 and a molecular weight of 582.97 g/mol. Its IUPAC name is [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate
PubChem CID140771666
Molecular FormulaC34H54O4Si2
Molecular Weight582.97 g/mol
Exact Mass582.36
IUPAC Name[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(/C=C/c2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1
InChIInChI=1S/C34H54O4Si2/c1-23(2)39(24(3)4,25(5)6)37-33-20-31(15-14-30-16-18-32(19-17-30)36-29(13)35)21-34(22-33)38-40(26(7)8,27(9)10)28(11)12/h14-28H,1-13H3/b15-14+
InChIKeyJUOFGPWQOBRPKB-CCEZHUSRSA-N
XLogP10.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.97
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 59301729
[4-[(E)-2-[3,5-bis(methoxymethoxy)phenyl]ethenyl]phenyl] acetate
CID 6918862
4-[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenoxy]-4-oxobutanoic acid
CID 159057426
[4-[(E)-2-(3-hydroxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 126551286
[4-[(E)-2-(3,5-diacetyloxyphenyl)ethenyl]phenyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 86305893
3-triethylsilyloxy-5-[(E)-2-(4-triethylsilyloxyphenyl)ethenyl]phenol;3-tri(propan-2-yl)silyloxy-5-[(E)-2-[4-tri(propan-2-yl)silyloxyphenyl]ethenyl]phenol
CID 165050985
[4-[2-oxo-2-[4-tri(propan-2-yl)silyloxyphenyl]ethyl]phenyl] acetate
CID 58743063
[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]-tri(propan-2-yl)silane
CID 59310555
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate
CID 78127654
tetrakis([4-[5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate);bis(palladium)
CID 173130070
[4-[(E)-2-[3-[(E)-2-(4-acetyloxyphenyl)ethenyl]quinoxalin-2-yl]ethenyl]phenyl] acetate
CID 22765476

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate?
The IUPAC name of [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate (CID 140771666) is [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate.
What is the SMILES notation for [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate?
The canonical SMILES for [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate is CC(=O)Oc1ccc(/C=C/c2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(O[Si](C(C)C)(C(C)C)C(C)C)c2)cc1.
What is the InChIKey of [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate?
The InChIKey is JUOFGPWQOBRPKB-CCEZHUSRSA-N. The full InChI is InChI=1S/C34H54O4Si2/c1-23(2)39(24(3)4,25(5)6)37-33-20-31(15-14-30-16-18-32(19-17-30)36-29(13)35)21-34(22-33)38-40(26(7)8,27(9)10)28(11)12/h14-28H,1-13H3/b15-14+.
What are the key properties of [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate?
[4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate has a molecular weight of 582.97 g/mol, XLogP of 10.89, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-2-[3,5-bis[tri(propan-2-yl)silyloxy]phenyl]ethenyl]phenyl] acetate is sourced from PubChem (CID 140771666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).