[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate

C23H30O6 — CID 18710417

IUPAC[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate
SMILESCOC1CCC2(CC1)OC(=O)C(c1cc(C)ccc1C)=C2OC(=O)OCC(C)C
InChIInChI=1S/C23H30O6/c1-14(2)13-27-22(25)28-20-19(18-12-15(3)6-7-16(18)4)21(24)29-23(20)10-8-17(26-5)9-11-23/h6-7,12,14,17H,8-11,13H2,1-5H3
InChIKeyYISBWEGMUNJTFW-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.71
Rot. Bonds5

About [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate (PubChem CID 18710417) has the molecular formula C23H30O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate
PubChem CID18710417
Molecular FormulaC23H30O6
Molecular Weight402.49 g/mol
Exact Mass402.20
IUPAC Name[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate
SMILESCOC1CCC2(CC1)OC(=O)C(c1cc(C)ccc1C)=C2OC(=O)OCC(C)C
InChIInChI=1S/C23H30O6/c1-14(2)13-27-22(25)28-20-19(18-12-15(3)6-7-16(18)4)21(24)29-23(20)10-8-17(26-5)9-11-23/h6-7,12,14,17H,8-11,13H2,1-5H3
InChIKeyYISBWEGMUNJTFW-UHFFFAOYSA-N
XLogP4.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate with MolForge

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Launch Full Analysis

Related Compounds

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate;ethane
CID 143608016
[3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropanoate
CID 23390514
[3-(2-chloro-4-methylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 18684687
[4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-yl] ethyl carbonate
CID 71079165
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 59141990
ethyl 3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-ene-4-carboxylate
CID 142775888
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 169451318
ethyl [3-(4-iodo-2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66797793
ethyl [8-methoxy-2-oxo-3-(2,4,6-trimethylphenyl)-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66793895
[3-(2,4-dichlorophenyl)-8-methoxy-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 66797755
ethyl [8-methoxy-3-(2-methoxy-4,6-dimethylphenyl)-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 66797798
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-1-yl] ethyl carbonate
CID 91612500

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate?
The IUPAC name of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate (CID 18710417) is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate.
What is the SMILES notation for [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate?
The canonical SMILES for [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate is COC1CCC2(CC1)OC(=O)C(c1cc(C)ccc1C)=C2OC(=O)OCC(C)C.
What is the InChIKey of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate?
The InChIKey is YISBWEGMUNJTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O6/c1-14(2)13-27-22(25)28-20-19(18-12-15(3)6-7-16(18)4)21(24)29-23(20)10-8-17(26-5)9-11-23/h6-7,12,14,17H,8-11,13H2,1-5H3.
What are the key properties of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate?
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate has a molecular weight of 402.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate is sourced from PubChem (CID 18710417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).