3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate

C14H33NO8Si2 — CID 140634678

IUPAC3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate
SMILESCO[Si](CCC[N+](C)(C)C)(OC)OCO[Si](CCC(=O)[O-])(OC)OC
InChIInChI=1S/C14H33NO8Si2/c1-15(2,3)10-8-11-24(18-4,19-5)22-13-23-25(20-6,21-7)12-9-14(16)17/h8-13H2,1-7H3
InChIKeyITZRFPAEUBHCTG-UHFFFAOYSA-N
MW399.59 g/mol
LogP-0.32
Rot. Bonds15

About 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate

3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate (PubChem CID 140634678) has the molecular formula C14H33NO8Si2 and a molecular weight of 399.59 g/mol. Its IUPAC name is 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate.

Molecular Properties

Compound Name3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate
PubChem CID140634678
Molecular FormulaC14H33NO8Si2
Molecular Weight399.59 g/mol
Exact Mass399.17
IUPAC Name3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate
SMILESCO[Si](CCC[N+](C)(C)C)(OC)OCO[Si](CCC(=O)[O-])(OC)OC
InChIInChI=1S/C14H33NO8Si2/c1-15(2,3)10-8-11-24(18-4,19-5)22-13-23-25(20-6,21-7)12-9-14(16)17/h8-13H2,1-7H3
InChIKeyITZRFPAEUBHCTG-UHFFFAOYSA-N
XLogP-0.32
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.59
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate?
The IUPAC name of 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate (CID 140634678) is 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate.
What is the SMILES notation for 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate?
The canonical SMILES for 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate is CO[Si](CCC[N+](C)(C)C)(OC)OCO[Si](CCC(=O)[O-])(OC)OC.
What is the InChIKey of 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate?
The InChIKey is ITZRFPAEUBHCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO8Si2/c1-15(2,3)10-8-11-24(18-4,19-5)22-13-23-25(20-6,21-7)12-9-14(16)17/h8-13H2,1-7H3.
What are the key properties of 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate?
3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate has a molecular weight of 399.59 g/mol, XLogP of -0.32, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethoxy-[3-(trimethylazaniumyl)propyl]silyl]oxymethoxy-dimethoxysilyl]propanoate is sourced from PubChem (CID 140634678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).