2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

C24H35NO6 — CID 108726303

IUPAC2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCCCCC(CC)COC(=O)N1CCC2(CC1)CC(=O)c1c(OC)cc(OC)cc1O2
InChIInChI=1S/C24H35NO6/c1-5-7-8-17(6-2)16-30-23(27)25-11-9-24(10-12-25)15-19(26)22-20(29-4)13-18(28-3)14-21(22)31-24/h13-14,17H,5-12,15-16H2,1-4H3
InChIKeyQURIBBYFXMHIBW-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.86
Rot. Bonds8

About 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 108726303) has the molecular formula C24H35NO6 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
PubChem CID108726303
Molecular FormulaC24H35NO6
Molecular Weight433.55 g/mol
Exact Mass433.25
IUPAC Name2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCCCCC(CC)COC(=O)N1CCC2(CC1)CC(=O)c1c(OC)cc(OC)cc1O2
InChIInChI=1S/C24H35NO6/c1-5-7-8-17(6-2)16-30-23(27)25-11-9-24(10-12-25)15-19(26)22-20(29-4)13-18(28-3)14-21(22)31-24/h13-14,17H,5-12,15-16H2,1-4H3
InChIKeyQURIBBYFXMHIBW-UHFFFAOYSA-N
XLogP4.86
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (CID 108726303) is 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is CCCCC(CC)COC(=O)N1CCC2(CC1)CC(=O)c1c(OC)cc(OC)cc1O2.
What is the InChIKey of 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is QURIBBYFXMHIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO6/c1-5-7-8-17(6-2)16-30-23(27)25-11-9-24(10-12-25)15-19(26)22-20(29-4)13-18(28-3)14-21(22)31-24/h13-14,17H,5-12,15-16H2,1-4H3.
What are the key properties of 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 433.55 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 108726303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).