[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

C18H19Cl2NO6 — CID 66797755

IUPAC[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C18H19Cl2NO6/c1-3-25-17(23)26-15-14(12-5-4-11(19)10-13(12)20)16(22)27-18(15)6-8-21(24-2)9-7-18/h4-5,10H,3,6-9H2,1-2H3
InChIKeyXQHLPKMGTISNSE-UHFFFAOYSA-N
MW416.26 g/mol
LogP3.83
Rot. Bonds4

About [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (PubChem CID 66797755) has the molecular formula C18H19Cl2NO6 and a molecular weight of 416.26 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
PubChem CID66797755
Molecular FormulaC18H19Cl2NO6
Molecular Weight416.26 g/mol
Exact Mass415.06
IUPAC Name[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)OC12CCN(OC)CC2
InChIInChI=1S/C18H19Cl2NO6/c1-3-25-17(23)26-15-14(12-5-4-11(19)10-13(12)20)16(22)27-18(15)6-8-21(24-2)9-7-18/h4-5,10H,3,6-9H2,1-2H3
InChIKeyXQHLPKMGTISNSE-UHFFFAOYSA-N
XLogP3.83
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The IUPAC name of [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (CID 66797755) is [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The canonical SMILES for [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is CCOC(=O)OC1=C(c2ccc(Cl)cc2Cl)C(=O)OC12CCN(OC)CC2.
What is the InChIKey of [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The InChIKey is XQHLPKMGTISNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO6/c1-3-25-17(23)26-15-14(12-5-4-11(19)10-13(12)20)16(22)27-18(15)6-8-21(24-2)9-7-18/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate has a molecular weight of 416.26 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is sourced from PubChem (CID 66797755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).