3-methyl-4-triethoxysilylbut-2-en-2-amine

C11H25NO3Si — CID 175093844

IUPAC3-methyl-4-triethoxysilylbut-2-en-2-amine
SMILESCCO[Si](CC(C)=C(C)N)(OCC)OCC
InChIInChI=1S/C11H25NO3Si/c1-6-13-16(14-7-2,15-8-3)9-10(4)11(5)12/h6-9,12H2,1-5H3
InChIKeyGXYUOCWATHCUEN-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.29
Rot. Bonds8

About 3-methyl-4-triethoxysilylbut-2-en-2-amine

3-methyl-4-triethoxysilylbut-2-en-2-amine (PubChem CID 175093844) has the molecular formula C11H25NO3Si and a molecular weight of 247.41 g/mol. Its IUPAC name is 3-methyl-4-triethoxysilylbut-2-en-2-amine.

Molecular Properties

Compound Name3-methyl-4-triethoxysilylbut-2-en-2-amine
PubChem CID175093844
Molecular FormulaC11H25NO3Si
Molecular Weight247.41 g/mol
Exact Mass247.16
IUPAC Name3-methyl-4-triethoxysilylbut-2-en-2-amine
SMILESCCO[Si](CC(C)=C(C)N)(OCC)OCC
InChIInChI=1S/C11H25NO3Si/c1-6-13-16(14-7-2,15-8-3)9-10(4)11(5)12/h6-9,12H2,1-5H3
InChIKeyGXYUOCWATHCUEN-UHFFFAOYSA-N
XLogP2.29
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-triethoxysilylpropan-2-one
CID 174838810
lithium 2-triethoxysilylethanethioate
CID 87593401
carbamic acid;triethoxy(propyl)silane
CID 175441799
2-methylprop-2-enamide;triethoxy(propyl)silane
CID 22731699
6-amino-1-triethoxysilylhexan-2-one
CID 91383810
O-(3-triethoxysilylpropyl) carbamothioate
CID 175061210
triethoxy(triethoxysilylmethoxymethyl)silane
CID 22616804
ethyl carbamate;3-triethoxysilylpropan-1-amine
CID 90205560
3-[(Z)-but-2-en-2-yl]oxypropyl-triethoxysilane
CID 87106827
1-triethoxysilylpropan-2-amine
CID 10236113
amino-dimethyl-(triethoxysilylmethyl)azanium
CID 86240589
(2-methyl-5-triethoxysilylpentan-2-yl)urea
CID 87282445

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-triethoxysilylbut-2-en-2-amine?
The IUPAC name of 3-methyl-4-triethoxysilylbut-2-en-2-amine (CID 175093844) is 3-methyl-4-triethoxysilylbut-2-en-2-amine.
What is the SMILES notation for 3-methyl-4-triethoxysilylbut-2-en-2-amine?
The canonical SMILES for 3-methyl-4-triethoxysilylbut-2-en-2-amine is CCO[Si](CC(C)=C(C)N)(OCC)OCC.
What is the InChIKey of 3-methyl-4-triethoxysilylbut-2-en-2-amine?
The InChIKey is GXYUOCWATHCUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO3Si/c1-6-13-16(14-7-2,15-8-3)9-10(4)11(5)12/h6-9,12H2,1-5H3.
What are the key properties of 3-methyl-4-triethoxysilylbut-2-en-2-amine?
3-methyl-4-triethoxysilylbut-2-en-2-amine has a molecular weight of 247.41 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-triethoxysilylbut-2-en-2-amine is sourced from PubChem (CID 175093844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).