4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one

C9H18N2O3 — CID 545836

IUPAC4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one
SMILESCN1CCOCCOCCN(C)C1=O
InChIInChI=1S/C9H18N2O3/c1-10-3-5-13-7-8-14-6-4-11(2)9(10)12/h3-8H2,1-2H3
InChIKeyCRNANTFCICVBHH-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.02
Rot. Bonds

About 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one

4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one (PubChem CID 545836) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one.

Molecular Properties

Compound Name4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one
PubChem CID545836
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one
SMILESCN1CCOCCOCCN(C)C1=O
InChIInChI=1S/C9H18N2O3/c1-10-3-5-13-7-8-14-6-4-11(2)9(10)12/h3-8H2,1-2H3
InChIKeyCRNANTFCICVBHH-UHFFFAOYSA-N
XLogP0.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,12-Dimethyl-6,9,17,20,25-pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dione
CID 3619949
6,9,17,20,25,28-Hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dione, 3,12-dimethyl-
CID 544797
3,15-Dimethyl-6,9,12,20,23,28,31-heptaoxa-1,3,15,17-tetraazabicyclo-[15.8.8]-tritriacontan-2,16-dione
CID 544899
3,18-Dimethyl-6,9,12,15,23,26,31,34-octaoxa-1,3,18,20-tetraazabicyclo-[18.8.8]-hexatriacontan-2,19-dione
CID 575181
N,N-diethylmorpholine-4-carboxamide
CID 669641
4,6,12,14-Tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione
CID 3123189
6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dione, 3,9-dimethyl-
CID 544917
4,6,9,11-Tetramethyl-1-oxa-4,6,9,11-tetraazacyclotrideca-5,10-dione
CID 545984
4,6,12,14-Tetramethyl-1,9-dioxa-4,6,12,14-tetraazahexadecane-5,13-dione
CID 546381
4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one
CID 568335
4,6-Dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one
CID 568336
Dimethylcarbamoyl-[1-(2-hydroxyethoxy)-2-methoxyethyl]-dimethylazanium
CID 20185028

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one?
The IUPAC name of 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one (CID 545836) is 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one.
What is the SMILES notation for 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one?
The canonical SMILES for 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one is CN1CCOCCOCCN(C)C1=O.
What is the InChIKey of 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one?
The InChIKey is CRNANTFCICVBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10-3-5-13-7-8-14-6-4-11(2)9(10)12/h3-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one?
4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one has a molecular weight of 202.25 g/mol, XLogP of 0.02, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one is sourced from PubChem (CID 545836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).