N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine

C9H19NO2Si — CID 123660158

IUPACN-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine
SMILESC=C[Si](C)(OC)ONC(C)=C(C)C
InChIInChI=1S/C9H19NO2Si/c1-7-13(6,11-5)12-10-9(4)8(2)3/h7,10H,1H2,2-6H3
InChIKeyQXQKLRGVMLENET-UHFFFAOYSA-N
MW201.34 g/mol
LogP2.27
Rot. Bonds5

About N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine

N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine (PubChem CID 123660158) has the molecular formula C9H19NO2Si and a molecular weight of 201.34 g/mol. Its IUPAC name is N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine.

Molecular Properties

Compound NameN-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine
PubChem CID123660158
Molecular FormulaC9H19NO2Si
Molecular Weight201.34 g/mol
Exact Mass201.12
IUPAC NameN-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine
SMILESC=C[Si](C)(OC)ONC(C)=C(C)C
InChIInChI=1S/C9H19NO2Si/c1-7-13(6,11-5)12-10-9(4)8(2)3/h7,10H,1H2,2-6H3
InChIKeyQXQKLRGVMLENET-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-methylsilyl)oxy-3-methylbut-2-en-2-amine?
The IUPAC name of N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine (CID 123660158) is N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine.
What is the SMILES notation for N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine?
The canonical SMILES for N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine is C=C[Si](C)(OC)ONC(C)=C(C)C.
What is the InChIKey of N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine?
The InChIKey is QXQKLRGVMLENET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2Si/c1-7-13(6,11-5)12-10-9(4)8(2)3/h7,10H,1H2,2-6H3.
What are the key properties of N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine?
N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine has a molecular weight of 201.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethenyl-methoxy-methylsilyl)oxy-3-methylbut-2-en-2-amine is sourced from PubChem (CID 123660158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).