N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine

C13H26N2O3Si — CID 87220507

IUPACN-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine
SMILESC=C[Si](OC)(ON=C(C)C(C)C)ON=C(C)C(C)C
InChIInChI=1S/C13H26N2O3Si/c1-9-19(16-8,17-14-12(6)10(2)3)18-15-13(7)11(4)5/h9-11H,1H2,2-8H3
InChIKeyPRPKLPXTQMDYOB-UHFFFAOYSA-N
MW286.45 g/mol
LogP3.39
Rot. Bonds8

About N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine

N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine (PubChem CID 87220507) has the molecular formula C13H26N2O3Si and a molecular weight of 286.45 g/mol. Its IUPAC name is N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine
PubChem CID87220507
Molecular FormulaC13H26N2O3Si
Molecular Weight286.45 g/mol
Exact Mass286.17
IUPAC NameN-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine
SMILESC=C[Si](OC)(ON=C(C)C(C)C)ON=C(C)C(C)C
InChIInChI=1S/C13H26N2O3Si/c1-9-19(16-8,17-14-12(6)10(2)3)18-15-13(7)11(4)5/h9-11H,1H2,2-8H3
InChIKeyPRPKLPXTQMDYOB-UHFFFAOYSA-N
XLogP3.39
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine?
The IUPAC name of N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine (CID 87220507) is N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine.
What is the SMILES notation for N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine?
The canonical SMILES for N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine is C=C[Si](OC)(ON=C(C)C(C)C)ON=C(C)C(C)C.
What is the InChIKey of N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine?
The InChIKey is PRPKLPXTQMDYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3Si/c1-9-19(16-8,17-14-12(6)10(2)3)18-15-13(7)11(4)5/h9-11H,1H2,2-8H3.
What are the key properties of N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine?
N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine has a molecular weight of 286.45 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl-methoxy-(3-methylbutan-2-ylideneamino)oxysilyl]oxy-3-methylbutan-2-imine is sourced from PubChem (CID 87220507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).