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

C12H27NO2Si — CID 140754015

IUPAC3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCC[Si]1(CCCN(C)C)OCC(C)(C)CO1
InChIInChI=1S/C12H27NO2Si/c1-6-16(9-7-8-13(4)5)14-10-12(2,3)11-15-16/h6-11H2,1-5H3
InChIKeyPGHZAMJWZQJCQG-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.47
Rot. Bonds5

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

3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine (PubChem CID 140754015) has the molecular formula C12H27NO2Si and a molecular weight of 245.44 g/mol. Its IUPAC name is 3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
PubChem CID140754015
Molecular FormulaC12H27NO2Si
Molecular Weight245.44 g/mol
Exact Mass245.18
IUPAC Name3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine
SMILESCC[Si]1(CCCN(C)C)OCC(C)(C)CO1
InChIInChI=1S/C12H27NO2Si/c1-6-16(9-7-8-13(4)5)14-10-12(2,3)11-15-16/h6-11H2,1-5H3
InChIKeyPGHZAMJWZQJCQG-UHFFFAOYSA-N
XLogP2.47
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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 3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine (CID 140754015) is 3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine is CC[Si]1(CCCN(C)C)OCC(C)(C)CO1.
What is the InChIKey of 3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is PGHZAMJWZQJCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2Si/c1-6-16(9-7-8-13(4)5)14-10-12(2,3)11-15-16/h6-11H2,1-5H3.
What are the key properties of 3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine?
3-(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, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5,5-dimethyl-1,3,2-dioxasilinan-2-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 140754015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).