8-methyl-1,3-oxazocane

C7H15NO — CID 23397004

IUPAC8-methyl-1,3-oxazocane
SMILESCC1CCCCNCO1
InChIInChI=1S/C7H15NO/c1-7-4-2-3-5-8-6-9-7/h7-8H,2-6H2,1H3
InChIKeyVAXJJWIDEMAHIH-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.12
Rot. Bonds

About 8-methyl-1,3-oxazocane

8-methyl-1,3-oxazocane (PubChem CID 23397004) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 8-methyl-1,3-oxazocane.

Molecular Properties

Compound Name8-methyl-1,3-oxazocane
PubChem CID23397004
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name8-methyl-1,3-oxazocane
SMILESCC1CCCCNCO1
InChIInChI=1S/C7H15NO/c1-7-4-2-3-5-8-6-9-7/h7-8H,2-6H2,1H3
InChIKeyVAXJJWIDEMAHIH-UHFFFAOYSA-N
XLogP1.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,3-oxazocane?
The IUPAC name of 8-methyl-1,3-oxazocane (CID 23397004) is 8-methyl-1,3-oxazocane.
What is the SMILES notation for 8-methyl-1,3-oxazocane?
The canonical SMILES for 8-methyl-1,3-oxazocane is CC1CCCCNCO1.
What is the InChIKey of 8-methyl-1,3-oxazocane?
The InChIKey is VAXJJWIDEMAHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7-4-2-3-5-8-6-9-7/h7-8H,2-6H2,1H3.
What are the key properties of 8-methyl-1,3-oxazocane?
8-methyl-1,3-oxazocane has a molecular weight of 129.20 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,3-oxazocane is sourced from PubChem (CID 23397004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).