6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol

C10H17NO4 — CID 123504213

IUPAC6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol
SMILESCC1OC(O)CC2C1OC1COCCN12
InChIInChI=1S/C10H17NO4/c1-6-10-7(4-9(12)14-6)11-2-3-13-5-8(11)15-10/h6-10,12H,2-5H2,1H3
InChIKeyYBKVMKFMZVZUKN-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.46
Rot. Bonds

About 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol

6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol (PubChem CID 123504213) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol.

Molecular Properties

Compound Name6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol
PubChem CID123504213
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol
SMILESCC1OC(O)CC2C1OC1COCCN12
InChIInChI=1S/C10H17NO4/c1-6-10-7(4-9(12)14-6)11-2-3-13-5-8(11)15-10/h6-10,12H,2-5H2,1H3
InChIKeyYBKVMKFMZVZUKN-UHFFFAOYSA-N
XLogP-0.46
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol?
The IUPAC name of 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol (CID 123504213) is 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol.
What is the SMILES notation for 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol?
The canonical SMILES for 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol is CC1OC(O)CC2C1OC1COCCN12.
What is the InChIKey of 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol?
The InChIKey is YBKVMKFMZVZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6-10-7(4-9(12)14-6)11-2-3-13-5-8(11)15-10/h6-10,12H,2-5H2,1H3.
What are the key properties of 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol?
6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol has a molecular weight of 215.25 g/mol, XLogP of -0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-ol is sourced from PubChem (CID 123504213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).