2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium

C29H43N2O4Si2+ — CID 123391792

IUPAC2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium
SMILESC=CC(=O)N(CCO[Si](C)(C)c1ccccc1)CC[N+](C)(CCO[Si](C)(C)c1ccccc1)C(=O)C=C
InChIInChI=1S/C29H43N2O4Si2/c1-8-28(32)30(21-24-34-36(4,5)26-16-12-10-13-17-26)20-22-31(3,29(33)9-2)23-25-35-37(6,7)27-18-14-11-15-19-27/h8-19H,1-2,20-25H2,3-7H3/q+1
InChIKeyKBNVACKESXSURQ-UHFFFAOYSA-N
MW539.85 g/mol
LogP3.42
Rot. Bonds15

About 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium

2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium (PubChem CID 123391792) has the molecular formula C29H43N2O4Si2+ and a molecular weight of 539.85 g/mol. Its IUPAC name is 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium.

Molecular Properties

Compound Name2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium
PubChem CID123391792
Molecular FormulaC29H43N2O4Si2+
Molecular Weight539.85 g/mol
Exact Mass539.28
IUPAC Name2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium
SMILESC=CC(=O)N(CCO[Si](C)(C)c1ccccc1)CC[N+](C)(CCO[Si](C)(C)c1ccccc1)C(=O)C=C
InChIInChI=1S/C29H43N2O4Si2/c1-8-28(32)30(21-24-34-36(4,5)26-16-12-10-13-17-26)20-22-31(3,29(33)9-2)23-25-35-37(6,7)27-18-14-11-15-19-27/h8-19H,1-2,20-25H2,3-7H3/q+1
InChIKeyKBNVACKESXSURQ-UHFFFAOYSA-N
XLogP3.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.85
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium?
The IUPAC name of 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium (CID 123391792) is 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium.
What is the SMILES notation for 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium?
The canonical SMILES for 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium is C=CC(=O)N(CCO[Si](C)(C)c1ccccc1)CC[N+](C)(CCO[Si](C)(C)c1ccccc1)C(=O)C=C.
What is the InChIKey of 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium?
The InChIKey is KBNVACKESXSURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N2O4Si2/c1-8-28(32)30(21-24-34-36(4,5)26-16-12-10-13-17-26)20-22-31(3,29(33)9-2)23-25-35-37(6,7)27-18-14-11-15-19-27/h8-19H,1-2,20-25H2,3-7H3/q+1.
What are the key properties of 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium?
2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium has a molecular weight of 539.85 g/mol, XLogP of 3.42, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(phenyl)silyl]oxyethyl-[2-[2-[dimethyl(phenyl)silyl]oxyethyl-prop-2-enoylamino]ethyl]-methyl-prop-2-enoylazanium is sourced from PubChem (CID 123391792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).