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

C12H27NO2Si — CID 141458443

IUPAC2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCC[Si]1(C(C)CN(C)C)OCC(C)(C)CO1
InChIInChI=1S/C12H27NO2Si/c1-7-16(11(2)8-13(5)6)14-9-12(3,4)10-15-16/h11H,7-10H2,1-6H3
InChIKeyUDNVNMOCWJBSSF-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.47
Rot. Bonds4

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

2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 141458443) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is 2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID141458443
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Name2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCC[Si]1(C(C)CN(C)C)OCC(C)(C)CO1
InChIInChI=1S/C12H27NO2Si/c1-7-16(11(2)8-13(5)6)14-9-12(3,4)10-15-16/h11H,7-10H2,1-6H3
InChIKeyUDNVNMOCWJBSSF-UHFFFAOYSA-N
XLogP2.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine (CID 141458443) is 2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine is CC[Si]1(C(C)CN(C)C)OCC(C)(C)CO1.
What is the InChIKey of 2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is UDNVNMOCWJBSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-7-16(11(2)8-13(5)6)14-9-12(3,4)10-15-16/h11H,7-10H2,1-6H3.
What are the key properties of 2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 245.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 141458443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).