[1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane

C23H30N2O2Si — CID 173491702

IUPAC[1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane
SMILESCCOCn1cnc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C23H30N2O2Si/c1-5-26-18-25-16-21(24-17-25)22(23(2,3)4)27-28(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17,22,28H,5,18H2,1-4H3
InChIKeyAHKCINGVQBRDKB-UHFFFAOYSA-N
MW394.59 g/mol
LogP3.52
Rot. Bonds8

About [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane

[1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane (PubChem CID 173491702) has the molecular formula C23H30N2O2Si and a molecular weight of 394.59 g/mol. Its IUPAC name is [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane.

Molecular Properties

Compound Name[1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane
PubChem CID173491702
Molecular FormulaC23H30N2O2Si
Molecular Weight394.59 g/mol
Exact Mass394.21
IUPAC Name[1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane
SMILESCCOCn1cnc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)c1
InChIInChI=1S/C23H30N2O2Si/c1-5-26-18-25-16-21(24-17-25)22(23(2,3)4)27-28(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17,22,28H,5,18H2,1-4H3
InChIKeyAHKCINGVQBRDKB-UHFFFAOYSA-N
XLogP3.52
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane?
The IUPAC name of [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane (CID 173491702) is [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane.
What is the SMILES notation for [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane?
The canonical SMILES for [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane is CCOCn1cnc(C(O[SiH](c2ccccc2)c2ccccc2)C(C)(C)C)c1.
What is the InChIKey of [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane?
The InChIKey is AHKCINGVQBRDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2Si/c1-5-26-18-25-16-21(24-17-25)22(23(2,3)4)27-28(19-12-8-6-9-13-19)20-14-10-7-11-15-20/h6-17,22,28H,5,18H2,1-4H3.
What are the key properties of [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane?
[1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane has a molecular weight of 394.59 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(ethoxymethyl)imidazol-4-yl]-2,2-dimethylpropoxy]-diphenylsilane is sourced from PubChem (CID 173491702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).