3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one

C12H25NO2Si2 — CID 71285534

IUPAC3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one
SMILESC[Si]1(C)CC[Si](C)(C)N1C1CCCCOC1=O
InChIInChI=1S/C12H25NO2Si2/c1-16(2)9-10-17(3,4)13(16)11-7-5-6-8-15-12(11)14/h11H,5-10H2,1-4H3
InChIKeyXMNGIBFCEKTCPB-UHFFFAOYSA-N
MW271.51 g/mol
LogP2.81
Rot. Bonds1

About 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one

3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one (PubChem CID 71285534) has the molecular formula C12H25NO2Si2 and a molecular weight of 271.51 g/mol. Its IUPAC name is 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one.

Molecular Properties

Compound Name3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one
PubChem CID71285534
Molecular FormulaC12H25NO2Si2
Molecular Weight271.51 g/mol
Exact Mass271.14
IUPAC Name3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one
SMILESC[Si]1(C)CC[Si](C)(C)N1C1CCCCOC1=O
InChIInChI=1S/C12H25NO2Si2/c1-16(2)9-10-17(3,4)13(16)11-7-5-6-8-15-12(11)14/h11H,5-10H2,1-4H3
InChIKeyXMNGIBFCEKTCPB-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 52.81
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-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one?
The IUPAC name of 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one (CID 71285534) is 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one.
What is the SMILES notation for 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one?
The canonical SMILES for 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one is C[Si]1(C)CC[Si](C)(C)N1C1CCCCOC1=O.
What is the InChIKey of 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one?
The InChIKey is XMNGIBFCEKTCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2Si2/c1-16(2)9-10-17(3,4)13(16)11-7-5-6-8-15-12(11)14/h11H,5-10H2,1-4H3.
What are the key properties of 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one?
3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one has a molecular weight of 271.51 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)oxepan-2-one is sourced from PubChem (CID 71285534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).