(4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane

C12H21NO4 — CID 134373062

IUPAC(4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane
SMILESCO[C@H]1CC2C(OC3C(C)OCCN23)C(C)O1
InChIInChI=1S/C12H21NO4/c1-7-11-9(6-10(14-3)16-7)13-4-5-15-8(2)12(13)17-11/h7-12H,4-6H2,1-3H3/t7?,8?,9?,10-,11?,12?/m1/s1
InChIKeyAJZQDBPBYZWQID-SXZKJLQUSA-N
MW243.30 g/mol
LogP0.58
Rot. Bonds1

About (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane

(4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane (PubChem CID 134373062) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane.

Molecular Properties

Compound Name(4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane
PubChem CID134373062
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane
SMILESCO[C@H]1CC2C(OC3C(C)OCCN23)C(C)O1
InChIInChI=1S/C12H21NO4/c1-7-11-9(6-10(14-3)16-7)13-4-5-15-8(2)12(13)17-11/h7-12H,4-6H2,1-3H3/t7?,8?,9?,10-,11?,12?/m1/s1
InChIKeyAJZQDBPBYZWQID-SXZKJLQUSA-N
XLogP0.58
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
The IUPAC name of (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane (CID 134373062) is (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane.
What is the SMILES notation for (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
The canonical SMILES for (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane is CO[C@H]1CC2C(OC3C(C)OCCN23)C(C)O1.
What is the InChIKey of (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
The InChIKey is AJZQDBPBYZWQID-SXZKJLQUSA-N. The full InChI is InChI=1S/C12H21NO4/c1-7-11-9(6-10(14-3)16-7)13-4-5-15-8(2)12(13)17-11/h7-12H,4-6H2,1-3H3/t7?,8?,9?,10-,11?,12?/m1/s1.
What are the key properties of (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane?
(4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane has a molecular weight of 243.30 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxy-6,10-dimethyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecane is sourced from PubChem (CID 134373062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).