3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine

C12H27NO3Si — CID 140754014

IUPAC3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCCO[Si]1(CCCN(C)C)OCC(C)(C)CO1
InChIInChI=1S/C12H27NO3Si/c1-6-14-17(9-7-8-13(4)5)15-10-12(2,3)11-16-17/h6-11H2,1-5H3
InChIKeyKNCKKAHNPDRQJK-UHFFFAOYSA-N
MW261.44 g/mol
LogP1.99
Rot. Bonds6

About 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine

3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 140754014) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID140754014
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC Name3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCCO[Si]1(CCCN(C)C)OCC(C)(C)CO1
InChIInChI=1S/C12H27NO3Si/c1-6-14-17(9-7-8-13(4)5)15-10-12(2,3)11-16-17/h6-11H2,1-5H3
InChIKeyKNCKKAHNPDRQJK-UHFFFAOYSA-N
XLogP1.99
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine (CID 140754014) is 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine is CCO[Si]1(CCCN(C)C)OCC(C)(C)CO1.
What is the InChIKey of 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is KNCKKAHNPDRQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-6-14-17(9-7-8-13(4)5)15-10-12(2,3)11-16-17/h6-11H2,1-5H3.
What are the key properties of 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 261.44 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 140754014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).