triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane

C23H42N2O4Si — CID 174937161

IUPACtriethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane
SMILESCCO[Si](CCCN1CCCN(Cc2ccc(C)c(C)c2OC)C1)(OCC)OCC
InChIInChI=1S/C23H42N2O4Si/c1-7-27-30(28-8-2,29-9-3)17-11-16-24-14-10-15-25(19-24)18-22-13-12-20(4)21(5)23(22)26-6/h12-13H,7-11,14-19H2,1-6H3
InChIKeyHBCJKSXXWBKDPX-UHFFFAOYSA-N
MW438.69 g/mol
LogP4.22
Rot. Bonds13

About triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane

triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane (PubChem CID 174937161) has the molecular formula C23H42N2O4Si and a molecular weight of 438.69 g/mol. Its IUPAC name is triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane.

Molecular Properties

Compound Nametriethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane
PubChem CID174937161
Molecular FormulaC23H42N2O4Si
Molecular Weight438.69 g/mol
Exact Mass438.29
IUPAC Nametriethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane
SMILESCCO[Si](CCCN1CCCN(Cc2ccc(C)c(C)c2OC)C1)(OCC)OCC
InChIInChI=1S/C23H42N2O4Si/c1-7-27-30(28-8-2,29-9-3)17-11-16-24-14-10-15-25(19-24)18-22-13-12-20(4)21(5)23(22)26-6/h12-13H,7-11,14-19H2,1-6H3
InChIKeyHBCJKSXXWBKDPX-UHFFFAOYSA-N
XLogP4.22
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.69
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane?
The IUPAC name of triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane (CID 174937161) is triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane.
What is the SMILES notation for triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane?
The canonical SMILES for triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane is CCO[Si](CCCN1CCCN(Cc2ccc(C)c(C)c2OC)C1)(OCC)OCC.
What is the InChIKey of triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane?
The InChIKey is HBCJKSXXWBKDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4Si/c1-7-27-30(28-8-2,29-9-3)17-11-16-24-14-10-15-25(19-24)18-22-13-12-20(4)21(5)23(22)26-6/h12-13H,7-11,14-19H2,1-6H3.
What are the key properties of triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane?
triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane has a molecular weight of 438.69 g/mol, XLogP of 4.22, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[3-[3-[(2-methoxy-3,4-dimethylphenyl)methyl]-1,3-diazinan-1-yl]propyl]silane is sourced from PubChem (CID 174937161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).