[2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate

C34H46O5Si2 — CID 123813906

IUPAC[2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate
SMILESCC[Si](C)(CCCc1ccccc1OC)O[Si](C)(CC)CCCc1ccccc1OC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C34H46O5Si2/c1-7-40(5,24-14-20-28-16-9-11-22-32(28)37-4)39-41(6,8-2)25-15-21-29-17-10-12-23-33(29)38-34(36)31-19-13-18-30(26-31)27(3)35/h9-13,16-19,22-23,26H,7-8,14-15,20-21,24-25H2,1-6H3
InChIKeyHVDUQQQKVURIQR-UHFFFAOYSA-N
MW590.91 g/mol
LogP8.89
Rot. Bonds16

About [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate

[2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate (PubChem CID 123813906) has the molecular formula C34H46O5Si2 and a molecular weight of 590.91 g/mol. Its IUPAC name is [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate.

Molecular Properties

Compound Name[2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate
PubChem CID123813906
Molecular FormulaC34H46O5Si2
Molecular Weight590.91 g/mol
Exact Mass590.29
IUPAC Name[2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate
SMILESCC[Si](C)(CCCc1ccccc1OC)O[Si](C)(CC)CCCc1ccccc1OC(=O)c1cccc(C(C)=O)c1
InChIInChI=1S/C34H46O5Si2/c1-7-40(5,24-14-20-28-16-9-11-22-32(28)37-4)39-41(6,8-2)25-15-21-29-17-10-12-23-33(29)38-34(36)31-19-13-18-30(26-31)27(3)35/h9-13,16-19,22-23,26H,7-8,14-15,20-21,24-25H2,1-6H3
InChIKeyHVDUQQQKVURIQR-UHFFFAOYSA-N
XLogP8.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.91
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate?
The IUPAC name of [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate (CID 123813906) is [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate.
What is the SMILES notation for [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate?
The canonical SMILES for [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate is CC[Si](C)(CCCc1ccccc1OC)O[Si](C)(CC)CCCc1ccccc1OC(=O)c1cccc(C(C)=O)c1.
What is the InChIKey of [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate?
The InChIKey is HVDUQQQKVURIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O5Si2/c1-7-40(5,24-14-20-28-16-9-11-22-32(28)37-4)39-41(6,8-2)25-15-21-29-17-10-12-23-33(29)38-34(36)31-19-13-18-30(26-31)27(3)35/h9-13,16-19,22-23,26H,7-8,14-15,20-21,24-25H2,1-6H3.
What are the key properties of [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate?
[2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate has a molecular weight of 590.91 g/mol, XLogP of 8.89, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[ethyl-[ethyl-[3-(2-methoxyphenyl)propyl]-methylsilyl]oxy-methylsilyl]propyl]phenyl] 3-acetylbenzoate is sourced from PubChem (CID 123813906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).