(4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane

C24H29NO2Si — CID 15622120

IUPAC(4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane
SMILESCCOc1ccc([Si](C)(C)CCCc2cccc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H29NO2Si/c1-4-26-21-15-17-23(18-16-21)28(2,3)19-9-11-20-10-8-14-24(25-20)27-22-12-6-5-7-13-22/h5-8,10,12-18H,4,9,11,19H2,1-3H3
InChIKeyXJYKBPZELKLFKG-UHFFFAOYSA-N
MW391.59 g/mol
LogP5.82
Rot. Bonds9

About (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane

(4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane (PubChem CID 15622120) has the molecular formula C24H29NO2Si and a molecular weight of 391.59 g/mol. Its IUPAC name is (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane.

Molecular Properties

Compound Name(4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane
PubChem CID15622120
Molecular FormulaC24H29NO2Si
Molecular Weight391.59 g/mol
Exact Mass391.20
IUPAC Name(4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane
SMILESCCOc1ccc([Si](C)(C)CCCc2cccc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C24H29NO2Si/c1-4-26-21-15-17-23(18-16-21)28(2,3)19-9-11-20-10-8-14-24(25-20)27-22-12-6-5-7-13-22/h5-8,10,12-18H,4,9,11,19H2,1-3H3
InChIKeyXJYKBPZELKLFKG-UHFFFAOYSA-N
XLogP5.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.59
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane?
The IUPAC name of (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane (CID 15622120) is (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane.
What is the SMILES notation for (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane?
The canonical SMILES for (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane is CCOc1ccc([Si](C)(C)CCCc2cccc(Oc3ccccc3)n2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane?
The InChIKey is XJYKBPZELKLFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2Si/c1-4-26-21-15-17-23(18-16-21)28(2,3)19-9-11-20-10-8-14-24(25-20)27-22-12-6-5-7-13-22/h5-8,10,12-18H,4,9,11,19H2,1-3H3.
What are the key properties of (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane?
(4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane has a molecular weight of 391.59 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-dimethyl-[3-(6-phenoxy-2-pyridinyl)propyl]silane is sourced from PubChem (CID 15622120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).