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

C15H27NO2 — CID 144515531

IUPAC(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
SMILESCOC1/C=C/CCN(C)CCOC/C(C)=C\CC1
InChIInChI=1S/C15H27NO2/c1-14-7-6-9-15(17-3)8-4-5-10-16(2)11-12-18-13-14/h4,7-8,15H,5-6,9-13H2,1-3H3/b8-4+,14-7-
InChIKeyYBBGYKWBNINJED-AKEYRZJMSA-N
MW253.39 g/mol
LogP2.64
Rot. Bonds1

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

(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene (PubChem CID 144515531) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene.

Molecular Properties

Compound Name(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
PubChem CID144515531
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene
SMILESCOC1/C=C/CCN(C)CCOC/C(C)=C\CC1
InChIInChI=1S/C15H27NO2/c1-14-7-6-9-15(17-3)8-4-5-10-16(2)11-12-18-13-14/h4,7-8,15H,5-6,9-13H2,1-3H3/b8-4+,14-7-
InChIKeyYBBGYKWBNINJED-AKEYRZJMSA-N
XLogP2.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene with MolForge

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

What is the IUPAC name of (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene?
The IUPAC name of (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene (CID 144515531) is (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene.
What is the SMILES notation for (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene?
The canonical SMILES for (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene is COC1/C=C/CCN(C)CCOC/C(C)=C\CC1.
What is the InChIKey of (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene?
The InChIKey is YBBGYKWBNINJED-AKEYRZJMSA-N. The full InChI is InChI=1S/C15H27NO2/c1-14-7-6-9-15(17-3)8-4-5-10-16(2)11-12-18-13-14/h4,7-8,15H,5-6,9-13H2,1-3H3/b8-4+,14-7-.
What are the key properties of (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene?
(7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene has a molecular weight of 253.39 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,12Z)-9-methoxy-4,13-dimethyl-1-oxa-4-azacyclotetradeca-7,12-diene is sourced from PubChem (CID 144515531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).