7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one

C15H31NO2Si2 — CID 71285572

IUPAC7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one
SMILESC[Si]1(C)CC[Si](C)(C)N1C1CCCCC(=O)OCCC1
InChIInChI=1S/C15H31NO2Si2/c1-19(2)12-13-20(3,4)16(19)14-8-5-6-10-15(17)18-11-7-9-14/h14H,5-13H2,1-4H3
InChIKeyIKTQPYRXBZWHSL-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.98
Rot. Bonds1

About 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one

7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one (PubChem CID 71285572) has the molecular formula C15H31NO2Si2 and a molecular weight of 313.59 g/mol. Its IUPAC name is 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one.

Molecular Properties

Compound Name7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one
PubChem CID71285572
Molecular FormulaC15H31NO2Si2
Molecular Weight313.59 g/mol
Exact Mass313.19
IUPAC Name7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one
SMILESC[Si]1(C)CC[Si](C)(C)N1C1CCCCC(=O)OCCC1
InChIInChI=1S/C15H31NO2Si2/c1-19(2)12-13-20(3,4)16(19)14-8-5-6-10-15(17)18-11-7-9-14/h14H,5-13H2,1-4H3
InChIKeyIKTQPYRXBZWHSL-UHFFFAOYSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.98
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 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one?
The IUPAC name of 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one (CID 71285572) is 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one.
What is the SMILES notation for 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one?
The canonical SMILES for 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one is C[Si]1(C)CC[Si](C)(C)N1C1CCCCC(=O)OCCC1.
What is the InChIKey of 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one?
The InChIKey is IKTQPYRXBZWHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2Si2/c1-19(2)12-13-20(3,4)16(19)14-8-5-6-10-15(17)18-11-7-9-14/h14H,5-13H2,1-4H3.
What are the key properties of 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one?
7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one has a molecular weight of 313.59 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxecan-2-one is sourced from PubChem (CID 71285572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).