1-methoxy-2,2,8,8-tetramethylazocan-5-one

C12H23NO2 — CID 122680753

IUPAC1-methoxy-2,2,8,8-tetramethylazocan-5-one
SMILESCON1C(C)(C)CCC(=O)CCC1(C)C
InChIInChI=1S/C12H23NO2/c1-11(2)8-6-10(14)7-9-12(3,4)13(11)15-5/h6-9H2,1-5H3
InChIKeyQLNHPTZRQCTOIW-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.55
Rot. Bonds1

About 1-methoxy-2,2,8,8-tetramethylazocan-5-one

1-methoxy-2,2,8,8-tetramethylazocan-5-one (PubChem CID 122680753) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methoxy-2,2,8,8-tetramethylazocan-5-one.

Molecular Properties

Compound Name1-methoxy-2,2,8,8-tetramethylazocan-5-one
PubChem CID122680753
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-methoxy-2,2,8,8-tetramethylazocan-5-one
SMILESCON1C(C)(C)CCC(=O)CCC1(C)C
InChIInChI=1S/C12H23NO2/c1-11(2)8-6-10(14)7-9-12(3,4)13(11)15-5/h6-9H2,1-5H3
InChIKeyQLNHPTZRQCTOIW-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,2,8,8-tetramethylazocan-5-one?
The IUPAC name of 1-methoxy-2,2,8,8-tetramethylazocan-5-one (CID 122680753) is 1-methoxy-2,2,8,8-tetramethylazocan-5-one.
What is the SMILES notation for 1-methoxy-2,2,8,8-tetramethylazocan-5-one?
The canonical SMILES for 1-methoxy-2,2,8,8-tetramethylazocan-5-one is CON1C(C)(C)CCC(=O)CCC1(C)C.
What is the InChIKey of 1-methoxy-2,2,8,8-tetramethylazocan-5-one?
The InChIKey is QLNHPTZRQCTOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2)8-6-10(14)7-9-12(3,4)13(11)15-5/h6-9H2,1-5H3.
What are the key properties of 1-methoxy-2,2,8,8-tetramethylazocan-5-one?
1-methoxy-2,2,8,8-tetramethylazocan-5-one has a molecular weight of 213.32 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,8,8-tetramethylazocan-5-one is sourced from PubChem (CID 122680753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).