7-methyl-1,3,5,7-trioxazocane

C5H11NO3 — CID 59141043

IUPAC7-methyl-1,3,5,7-trioxazocane
SMILESCN1COCOCOC1
InChIInChI=1S/C5H11NO3/c1-6-2-7-4-9-5-8-3-6/h2-5H2,1H3
InChIKeyKTYKWNGTOBAJLZ-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.19
Rot. Bonds

About 7-methyl-1,3,5,7-trioxazocane

7-methyl-1,3,5,7-trioxazocane (PubChem CID 59141043) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 7-methyl-1,3,5,7-trioxazocane.

Molecular Properties

Compound Name7-methyl-1,3,5,7-trioxazocane
PubChem CID59141043
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name7-methyl-1,3,5,7-trioxazocane
SMILESCN1COCOCOC1
InChIInChI=1S/C5H11NO3/c1-6-2-7-4-9-5-8-3-6/h2-5H2,1H3
InChIKeyKTYKWNGTOBAJLZ-UHFFFAOYSA-N
XLogP-0.19
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1,3,5,7-trioxazocane?
The IUPAC name of 7-methyl-1,3,5,7-trioxazocane (CID 59141043) is 7-methyl-1,3,5,7-trioxazocane.
What is the SMILES notation for 7-methyl-1,3,5,7-trioxazocane?
The canonical SMILES for 7-methyl-1,3,5,7-trioxazocane is CN1COCOCOC1.
What is the InChIKey of 7-methyl-1,3,5,7-trioxazocane?
The InChIKey is KTYKWNGTOBAJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6-2-7-4-9-5-8-3-6/h2-5H2,1H3.
What are the key properties of 7-methyl-1,3,5,7-trioxazocane?
7-methyl-1,3,5,7-trioxazocane has a molecular weight of 133.15 g/mol, XLogP of -0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,3,5,7-trioxazocane is sourced from PubChem (CID 59141043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).