1-oxa-8,10-diazacyclooctadeca-8,9-diene

C15H28N2O — CID 130402488

IUPAC1-oxa-8,10-diazacyclooctadeca-8,9-diene
SMILESC1=NCCCCCCCCOCCCCCCN=1
InChIInChI=1S/C15H28N2O/c1-2-5-9-13-18-14-10-6-4-8-12-17-15-16-11-7-3-1/h1-14H2
InChIKeyDITSXDCZLKZPGQ-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.09
Rot. Bonds

About 1-oxa-8,10-diazacyclooctadeca-8,9-diene

1-oxa-8,10-diazacyclooctadeca-8,9-diene (PubChem CID 130402488) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-oxa-8,10-diazacyclooctadeca-8,9-diene.

Molecular Properties

Compound Name1-oxa-8,10-diazacyclooctadeca-8,9-diene
PubChem CID130402488
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-oxa-8,10-diazacyclooctadeca-8,9-diene
SMILESC1=NCCCCCCCCOCCCCCCN=1
InChIInChI=1S/C15H28N2O/c1-2-5-9-13-18-14-10-6-4-8-12-17-15-16-11-7-3-1/h1-14H2
InChIKeyDITSXDCZLKZPGQ-UHFFFAOYSA-N
XLogP4.09
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diazacyclohepta-1,2-diene
CID 148554346
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
oxane dichloride
CID 19601825
oxane;zinc
CID 66716277
oxane;selane
CID 173094887
gallane;oxane
CID 173138142

Frequently Asked Questions

What is the IUPAC name of 1-oxa-8,10-diazacyclooctadeca-8,9-diene?
The IUPAC name of 1-oxa-8,10-diazacyclooctadeca-8,9-diene (CID 130402488) is 1-oxa-8,10-diazacyclooctadeca-8,9-diene.
What is the SMILES notation for 1-oxa-8,10-diazacyclooctadeca-8,9-diene?
The canonical SMILES for 1-oxa-8,10-diazacyclooctadeca-8,9-diene is C1=NCCCCCCCCOCCCCCCN=1.
What is the InChIKey of 1-oxa-8,10-diazacyclooctadeca-8,9-diene?
The InChIKey is DITSXDCZLKZPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-5-9-13-18-14-10-6-4-8-12-17-15-16-11-7-3-1/h1-14H2.
What are the key properties of 1-oxa-8,10-diazacyclooctadeca-8,9-diene?
1-oxa-8,10-diazacyclooctadeca-8,9-diene has a molecular weight of 252.40 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-8,10-diazacyclooctadeca-8,9-diene is sourced from PubChem (CID 130402488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).