1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione

C12H22N2O4 — CID 121012640

IUPAC1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione
SMILESO=C1CCCCC(=O)NCCOCCOCCN1
InChIInChI=1S/C12H22N2O4/c15-11-3-1-2-4-12(16)14-6-8-18-10-9-17-7-5-13-11/h1-10H2,(H,13,15)(H,14,16)
InChIKeyMLZTVTMWNSCAFR-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.17
Rot. Bonds

About 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione

1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione (PubChem CID 121012640) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione.

Molecular Properties

Compound Name1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione
PubChem CID121012640
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione
SMILESO=C1CCCCC(=O)NCCOCCOCCN1
InChIInChI=1S/C12H22N2O4/c15-11-3-1-2-4-12(16)14-6-8-18-10-9-17-7-5-13-11/h1-10H2,(H,13,15)(H,14,16)
InChIKeyMLZTVTMWNSCAFR-UHFFFAOYSA-N
XLogP-0.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione?
The IUPAC name of 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione (CID 121012640) is 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione.
What is the SMILES notation for 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione?
The canonical SMILES for 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione is O=C1CCCCC(=O)NCCOCCOCCN1.
What is the InChIKey of 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione?
The InChIKey is MLZTVTMWNSCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c15-11-3-1-2-4-12(16)14-6-8-18-10-9-17-7-5-13-11/h1-10H2,(H,13,15)(H,14,16).
What are the key properties of 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione?
1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione has a molecular weight of 258.32 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7,14-diazacyclohexadecane-8,13-dione is sourced from PubChem (CID 121012640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).