3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene

C15H17Cl2NO3 — CID 102280720

IUPAC3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1C(c2c(Cl)cccc2Cl)=NOC12OCC(C)(C)CO2
InChIInChI=1S/C15H17Cl2NO3/c1-9-13(12-10(16)5-4-6-11(12)17)18-21-15(9)19-7-14(2,3)8-20-15/h4-6,9H,7-8H2,1-3H3
InChIKeyIDFMAMAQKGXMGI-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.09
Rot. Bonds1

About 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene

3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene (PubChem CID 102280720) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene
PubChem CID102280720
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Name3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene
SMILESCC1C(c2c(Cl)cccc2Cl)=NOC12OCC(C)(C)CO2
InChIInChI=1S/C15H17Cl2NO3/c1-9-13(12-10(16)5-4-6-11(12)17)18-21-15(9)19-7-14(2,3)8-20-15/h4-6,9H,7-8H2,1-3H3
InChIKeyIDFMAMAQKGXMGI-UHFFFAOYSA-N
XLogP4.09
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene with MolForge

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Related Compounds

(4S,5S)-4-bromo-3-(2,6-dichlorophenyl)-1,10-dioxa-2-azaspiro[4.5]dec-2-ene
CID 122397028
[3-(2,6-Dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl] acetate
CID 14372315
3-(2,6-Dichlorophenyl)-5-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 68354937
3-(2,6-Dichlorophenyl)-4,5-dimethyl-4,5-dihydro-1,2-oxazole
CID 68355978
[3-(2,6-Dichlorophenyl)-5-[2-(oxan-2-yloxy)ethyl]-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 88974210
3-(2,6-Dichlorophenyl)-5-ethyl-4,5-dihydro-1,2-oxazole
CID 89056701
[5-[(2S)-butan-2-yl]-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 89275447
[5-Butan-2-yl-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 89275524
3-(2,6-Dichlorophenyl)-4-methyl-5-[(2-methylpropan-2-yl)oxy]-4,5-dihydro-1,2-oxazole
CID 102453474
[3-(2,6-Dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazol-4-yl]methanol
CID 138508082
3-(2,6-Dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole
CID 138691934
[3-(2,6-dichlorophenyl)-4-methyl-5-[2-(oxan-2-yloxy)ethyl]-5H-1,2-oxazol-4-yl]methanol
CID 144138148

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene?
The IUPAC name of 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene (CID 102280720) is 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene?
The canonical SMILES for 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene is CC1C(c2c(Cl)cccc2Cl)=NOC12OCC(C)(C)CO2.
What is the InChIKey of 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene?
The InChIKey is IDFMAMAQKGXMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-9-13(12-10(16)5-4-6-11(12)17)18-21-15(9)19-7-14(2,3)8-20-15/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene?
3-(2,6-dichlorophenyl)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene has a molecular weight of 330.21 g/mol, XLogP of 4.09, 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)-4,8,8-trimethyl-1,6,10-trioxa-2-azaspiro[4.5]dec-2-ene is sourced from PubChem (CID 102280720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).