3-methyl-1,4-oxazepan-6-ol

C6H13NO2 — CID 118230390

IUPAC3-methyl-1,4-oxazepan-6-ol
SMILESCC1COCC(O)CN1
InChIInChI=1S/C6H13NO2/c1-5-3-9-4-6(8)2-7-5/h5-8H,2-4H2,1H3
InChIKeyJGWJKPUJJVVQGV-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.64
Rot. Bonds

About 3-methyl-1,4-oxazepan-6-ol

3-methyl-1,4-oxazepan-6-ol (PubChem CID 118230390) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-methyl-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name3-methyl-1,4-oxazepan-6-ol
PubChem CID118230390
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-methyl-1,4-oxazepan-6-ol
SMILESCC1COCC(O)CN1
InChIInChI=1S/C6H13NO2/c1-5-3-9-4-6(8)2-7-5/h5-8H,2-4H2,1H3
InChIKeyJGWJKPUJJVVQGV-UHFFFAOYSA-N
XLogP-0.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4-oxazepan-6-ol?
The IUPAC name of 3-methyl-1,4-oxazepan-6-ol (CID 118230390) is 3-methyl-1,4-oxazepan-6-ol.
What is the SMILES notation for 3-methyl-1,4-oxazepan-6-ol?
The canonical SMILES for 3-methyl-1,4-oxazepan-6-ol is CC1COCC(O)CN1.
What is the InChIKey of 3-methyl-1,4-oxazepan-6-ol?
The InChIKey is JGWJKPUJJVVQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5-3-9-4-6(8)2-7-5/h5-8H,2-4H2,1H3.
What are the key properties of 3-methyl-1,4-oxazepan-6-ol?
3-methyl-1,4-oxazepan-6-ol has a molecular weight of 131.18 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4-oxazepan-6-ol is sourced from PubChem (CID 118230390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).