[4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate

C23H34O4Si2 — CID 59772013

IUPAC[4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate
SMILESCOc1ccc(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C23H34O4Si2/c1-19(24)26-23-13-9-21(10-14-23)16-18-29(5,6)27-28(3,4)17-15-20-7-11-22(25-2)12-8-20/h7-14H,15-18H2,1-6H3
InChIKeyCZLOYDUQLYKLHK-UHFFFAOYSA-N
MW430.69 g/mol
LogP5.83
Rot. Bonds10

About [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate

[4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate (PubChem CID 59772013) has the molecular formula C23H34O4Si2 and a molecular weight of 430.69 g/mol. Its IUPAC name is [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate
PubChem CID59772013
Molecular FormulaC23H34O4Si2
Molecular Weight430.69 g/mol
Exact Mass430.20
IUPAC Name[4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate
SMILESCOc1ccc(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(OC(C)=O)cc2)cc1
InChIInChI=1S/C23H34O4Si2/c1-19(24)26-23-13-9-21(10-14-23)16-18-29(5,6)27-28(3,4)17-15-20-7-11-22(25-2)12-8-20/h7-14H,15-18H2,1-6H3
InChIKeyCZLOYDUQLYKLHK-UHFFFAOYSA-N
XLogP5.83
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.69
LogP ≤ 55.83
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'}

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Related Compounds

[4-[2-(4-methoxyphenyl)ethyl]phenyl] acetate
CID 22081615
[4-[[4-[4-[(4-methoxyphenyl)methyl]phenoxy]carbonyloxyphenyl]methyl]phenyl] acetate
CID 158229898
[4-(2-chloroethyl)phenyl] acetate
CID 11847845
[4-[(3R)-3-hydroxy-7-(4-methoxyphenyl)heptyl]phenyl] acetate
CID 46918951
2-(4-methoxyphenyl)ethyl 4-(4-acetyloxyphenyl)benzoate
CID 7807591
[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl] acetate
CID 144750250
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
[4-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenyl] 2-methylprop-2-enoate
CID 153316400
(4-decylphenyl) acetate
CID 57064765
[4-(acetamidomethyl)phenyl] acetate
CID 15576450

Frequently Asked Questions

What is the IUPAC name of [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate?
The IUPAC name of [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate (CID 59772013) is [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate.
What is the SMILES notation for [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate?
The canonical SMILES for [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate is COc1ccc(CC[Si](C)(C)O[Si](C)(C)CCc2ccc(OC(C)=O)cc2)cc1.
What is the InChIKey of [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate?
The InChIKey is CZLOYDUQLYKLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O4Si2/c1-19(24)26-23-13-9-21(10-14-23)16-18-29(5,6)27-28(3,4)17-15-20-7-11-22(25-2)12-8-20/h7-14H,15-18H2,1-6H3.
What are the key properties of [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate?
[4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate has a molecular weight of 430.69 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[2-(4-methoxyphenyl)ethyl-dimethylsilyl]oxy-dimethylsilyl]ethyl]phenyl] acetate is sourced from PubChem (CID 59772013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).