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

C12H27NO3Si — CID 141458444

IUPAC2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCCO[Si]1(C(C)CN(C)C)OCC(C)(C)CO1
InChIInChI=1S/C12H27NO3Si/c1-7-14-17(11(2)8-13(5)6)15-9-12(3,4)10-16-17/h11H,7-10H2,1-6H3
InChIKeyOMJGRXWRXCRFSW-UHFFFAOYSA-N
MW261.44 g/mol
LogP1.99
Rot. Bonds5

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

2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 141458444) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is 2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID141458444
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC Name2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCCO[Si]1(C(C)CN(C)C)OCC(C)(C)CO1
InChIInChI=1S/C12H27NO3Si/c1-7-14-17(11(2)8-13(5)6)15-9-12(3,4)10-16-17/h11H,7-10H2,1-6H3
InChIKeyOMJGRXWRXCRFSW-UHFFFAOYSA-N
XLogP1.99
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
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 2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine (CID 141458444) is 2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine is CCO[Si]1(C(C)CN(C)C)OCC(C)(C)CO1.
What is the InChIKey of 2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is OMJGRXWRXCRFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-7-14-17(11(2)8-13(5)6)15-9-12(3,4)10-16-17/h11H,7-10H2,1-6H3.
What are the key properties of 2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
2-(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, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 141458444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).