3-(6-methylheptoxy)azetidine

C11H23NO — CID 165499663

IUPAC3-(6-methylheptoxy)azetidine
SMILESCC(C)CCCCCOC1CNC1
InChIInChI=1S/C11H23NO/c1-10(2)6-4-3-5-7-13-11-8-12-9-11/h10-12H,3-9H2,1-2H3
InChIKeyYJOVJDISAAFCSI-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds7

About 3-(6-methylheptoxy)azetidine

3-(6-methylheptoxy)azetidine (PubChem CID 165499663) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-(6-methylheptoxy)azetidine.

Molecular Properties

Compound Name3-(6-methylheptoxy)azetidine
PubChem CID165499663
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-(6-methylheptoxy)azetidine
SMILESCC(C)CCCCCOC1CNC1
InChIInChI=1S/C11H23NO/c1-10(2)6-4-3-5-7-13-11-8-12-9-11/h10-12H,3-9H2,1-2H3
InChIKeyYJOVJDISAAFCSI-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylheptoxy)azetidine?
The IUPAC name of 3-(6-methylheptoxy)azetidine (CID 165499663) is 3-(6-methylheptoxy)azetidine.
What is the SMILES notation for 3-(6-methylheptoxy)azetidine?
The canonical SMILES for 3-(6-methylheptoxy)azetidine is CC(C)CCCCCOC1CNC1.
What is the InChIKey of 3-(6-methylheptoxy)azetidine?
The InChIKey is YJOVJDISAAFCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)6-4-3-5-7-13-11-8-12-9-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-(6-methylheptoxy)azetidine?
3-(6-methylheptoxy)azetidine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylheptoxy)azetidine is sourced from PubChem (CID 165499663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).