(3E)-1-oxa-6-azacyclohexadec-3-ene

C14H27NO — CID 139796398

IUPAC(3E)-1-oxa-6-azacyclohexadec-3-ene
SMILESC1=C/COCCCCCCCCCCNC/1
InChIInChI=1S/C14H27NO/c1-2-4-6-9-13-16-14-10-8-12-15-11-7-5-3-1/h8,10,15H,1-7,9,11-14H2/b10-8+
InChIKeyDGLPVXPSIXZUHI-CSKARUKUSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds

About (3E)-1-oxa-6-azacyclohexadec-3-ene

(3E)-1-oxa-6-azacyclohexadec-3-ene (PubChem CID 139796398) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (3E)-1-oxa-6-azacyclohexadec-3-ene.

Molecular Properties

Compound Name(3E)-1-oxa-6-azacyclohexadec-3-ene
PubChem CID139796398
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(3E)-1-oxa-6-azacyclohexadec-3-ene
SMILESC1=C/COCCCCCCCCCCNC/1
InChIInChI=1S/C14H27NO/c1-2-4-6-9-13-16-14-10-8-12-15-11-7-5-3-1/h8,10,15H,1-7,9,11-14H2/b10-8+
InChIKeyDGLPVXPSIXZUHI-CSKARUKUSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (3E)-1-oxa-6-azacyclohexadec-3-ene?
The IUPAC name of (3E)-1-oxa-6-azacyclohexadec-3-ene (CID 139796398) is (3E)-1-oxa-6-azacyclohexadec-3-ene.
What is the SMILES notation for (3E)-1-oxa-6-azacyclohexadec-3-ene?
The canonical SMILES for (3E)-1-oxa-6-azacyclohexadec-3-ene is C1=C/COCCCCCCCCCCNC/1.
What is the InChIKey of (3E)-1-oxa-6-azacyclohexadec-3-ene?
The InChIKey is DGLPVXPSIXZUHI-CSKARUKUSA-N. The full InChI is InChI=1S/C14H27NO/c1-2-4-6-9-13-16-14-10-8-12-15-11-7-5-3-1/h8,10,15H,1-7,9,11-14H2/b10-8+.
What are the key properties of (3E)-1-oxa-6-azacyclohexadec-3-ene?
(3E)-1-oxa-6-azacyclohexadec-3-ene has a molecular weight of 225.38 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-oxa-6-azacyclohexadec-3-ene is sourced from PubChem (CID 139796398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).