N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine

C14H28N2O3Si — CID 123427086

IUPACN-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
SMILESC=C[Si](OCC)(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C14H28N2O3Si/c1-9-17-20(10-2,18-15-13(7)11(3)4)19-16-14(8)12(5)6/h10,15-16H,2,9H2,1,3-8H3
InChIKeyBNQGDQQCAYIAKJ-UHFFFAOYSA-N
MW300.48 g/mol
LogP3.36
Rot. Bonds9

About N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine

N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine (PubChem CID 123427086) has the molecular formula C14H28N2O3Si and a molecular weight of 300.48 g/mol. Its IUPAC name is N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine.

Molecular Properties

Compound NameN-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
PubChem CID123427086
Molecular FormulaC14H28N2O3Si
Molecular Weight300.48 g/mol
Exact Mass300.19
IUPAC NameN-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine
SMILESC=C[Si](OCC)(ONC(C)=C(C)C)ONC(C)=C(C)C
InChIInChI=1S/C14H28N2O3Si/c1-9-17-20(10-2,18-15-13(7)11(3)4)19-16-14(8)12(5)6/h10,15-16H,2,9H2,1,3-8H3
InChIKeyBNQGDQQCAYIAKJ-UHFFFAOYSA-N
XLogP3.36
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The IUPAC name of N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine (CID 123427086) is N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine.
What is the SMILES notation for N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The canonical SMILES for N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine is C=C[Si](OCC)(ONC(C)=C(C)C)ONC(C)=C(C)C.
What is the InChIKey of N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
The InChIKey is BNQGDQQCAYIAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3Si/c1-9-17-20(10-2,18-15-13(7)11(3)4)19-16-14(8)12(5)6/h10,15-16H,2,9H2,1,3-8H3.
What are the key properties of N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine?
N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine has a molecular weight of 300.48 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[ethenyl-ethoxy-(3-methylbut-2-en-2-ylamino)oxysilyl]oxy-3-methylbut-2-en-2-amine is sourced from PubChem (CID 123427086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).