3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene

C13H13Cl2NO3 — CID 102280722

IUPAC3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1C(c2c(Cl)cccc2Cl)=NOC12OCCCO2
InChIInChI=1S/C13H13Cl2NO3/c1-8-12(11-9(14)4-2-5-10(11)15)16-19-13(8)17-6-3-7-18-13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyYWETXVIFNICBIW-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.45
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene

3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 102280722) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene
PubChem CID102280722
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1C(c2c(Cl)cccc2Cl)=NOC12OCCCO2
InChIInChI=1S/C13H13Cl2NO3/c1-8-12(11-9(14)4-2-5-10(11)15)16-19-13(8)17-6-3-7-18-13/h2,4-5,8H,3,6-7H2,1H3
InChIKeyYWETXVIFNICBIW-UHFFFAOYSA-N
XLogP3.45
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene (CID 102280722) is 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene is CC1C(c2c(Cl)cccc2Cl)=NOC12OCCCO2.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is YWETXVIFNICBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c1-8-12(11-9(14)4-2-5-10(11)15)16-19-13(8)17-6-3-7-18-13/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene?
3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 302.16 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-4-methyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 102280722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).