(3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one

C12H19NO6 — CID 11644762

IUPAC(3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one
SMILESCOCO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CN2C(=O)OC[C@H]12
InChIInChI=1S/C12H19NO6/c1-12(2)18-8-4-13-7(5-16-11(13)14)9(10(8)19-12)17-6-15-3/h7-10H,4-6H2,1-3H3/t7-,8-,9-,10-/m1/s1
InChIKeyHIIDFSNVRYJESE-ZYUZMQFOSA-N
MW273.29 g/mol
LogP0.33
Rot. Bonds3

About (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one

(3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one (PubChem CID 11644762) has the molecular formula C12H19NO6 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one.

Molecular Properties

Compound Name(3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one
PubChem CID11644762
Molecular FormulaC12H19NO6
Molecular Weight273.29 g/mol
Exact Mass273.12
IUPAC Name(3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one
SMILESCOCO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CN2C(=O)OC[C@H]12
InChIInChI=1S/C12H19NO6/c1-12(2)18-8-4-13-7(5-16-11(13)14)9(10(8)19-12)17-6-15-3/h7-10H,4-6H2,1-3H3/t7-,8-,9-,10-/m1/s1
InChIKeyHIIDFSNVRYJESE-ZYUZMQFOSA-N
XLogP0.33
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one?
The IUPAC name of (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one (CID 11644762) is (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one.
What is the SMILES notation for (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one?
The canonical SMILES for (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one is COCO[C@H]1[C@@H]2OC(C)(C)O[C@@H]2CN2C(=O)OC[C@H]12.
What is the InChIKey of (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one?
The InChIKey is HIIDFSNVRYJESE-ZYUZMQFOSA-N. The full InChI is InChI=1S/C12H19NO6/c1-12(2)18-8-4-13-7(5-16-11(13)14)9(10(8)19-12)17-6-15-3/h7-10H,4-6H2,1-3H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one?
(3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one has a molecular weight of 273.29 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,8R,9R)-8-(methoxymethoxy)-5,5-dimethyl-4,6,11-trioxa-1-azatricyclo[7.3.0.03,7]dodecan-12-one is sourced from PubChem (CID 11644762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).