(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene

C14H25NO2 — CID 144515516

IUPAC(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
SMILESCOC1/C=C/CCNCCOC/C(C)=C\CC1
InChIInChI=1S/C14H25NO2/c1-13-6-5-8-14(16-2)7-3-4-9-15-10-11-17-12-13/h3,6-7,14-15H,4-5,8-12H2,1-2H3/b7-3+,13-6-
InChIKeyXILASHUOKIVEBR-UMCNWUEJSA-N
MW239.36 g/mol
LogP2.29
Rot. Bonds1

About (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene

(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene (PubChem CID 144515516) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene.

Molecular Properties

Compound Name(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
PubChem CID144515516
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene
SMILESCOC1/C=C/CCNCCOC/C(C)=C\CC1
InChIInChI=1S/C14H25NO2/c1-13-6-5-8-14(16-2)7-3-4-9-15-10-11-17-12-13/h3,6-7,14-15H,4-5,8-12H2,1-2H3/b7-3+,13-6-
InChIKeyXILASHUOKIVEBR-UMCNWUEJSA-N
XLogP2.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene?
The IUPAC name of (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene (CID 144515516) is (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene.
What is the SMILES notation for (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene?
The canonical SMILES for (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene is COC1/C=C/CCNCCOC/C(C)=C\CC1.
What is the InChIKey of (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene?
The InChIKey is XILASHUOKIVEBR-UMCNWUEJSA-N. The full InChI is InChI=1S/C14H25NO2/c1-13-6-5-8-14(16-2)7-3-4-9-15-10-11-17-12-13/h3,6-7,14-15H,4-5,8-12H2,1-2H3/b7-3+,13-6-.
What are the key properties of (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene?
(7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene has a molecular weight of 239.36 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,12Z)-9-methoxy-13-methyl-1-oxa-4-azacyclotetradeca-7,12-diene is sourced from PubChem (CID 144515516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).