[2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate

C23H28O5 — CID 21134178

IUPAC[2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
SMILESCc1cc(C)c(C2=C(OC(=O)C(C)(C)C)C3(CCC(=O)CC3)OC2=O)c(C)c1
InChIInChI=1S/C23H28O5/c1-13-11-14(2)17(15(3)12-13)18-19(27-21(26)22(4,5)6)23(28-20(18)25)9-7-16(24)8-10-23/h11-12H,7-10H2,1-6H3
InChIKeyHHZNQUVGPTVJCX-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.35
Rot. Bonds2

About [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate

[2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate (PubChem CID 21134178) has the molecular formula C23H28O5 and a molecular weight of 384.47 g/mol. Its IUPAC name is [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
PubChem CID21134178
Molecular FormulaC23H28O5
Molecular Weight384.47 g/mol
Exact Mass384.19
IUPAC Name[2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate
SMILESCc1cc(C)c(C2=C(OC(=O)C(C)(C)C)C3(CCC(=O)CC3)OC2=O)c(C)c1
InChIInChI=1S/C23H28O5/c1-13-11-14(2)17(15(3)12-13)18-19(27-21(26)22(4,5)6)23(28-20(18)25)9-7-16(24)8-10-23/h11-12H,7-10H2,1-6H3
InChIKeyHHZNQUVGPTVJCX-UHFFFAOYSA-N
XLogP4.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate (CID 21134178) is [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate is Cc1cc(C)c(C2=C(OC(=O)C(C)(C)C)C3(CCC(=O)CC3)OC2=O)c(C)c1.
What is the InChIKey of [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
The InChIKey is HHZNQUVGPTVJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O5/c1-13-11-14(2)17(15(3)12-13)18-19(27-21(26)22(4,5)6)23(28-20(18)25)9-7-16(24)8-10-23/h11-12H,7-10H2,1-6H3.
What are the key properties of [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate?
[2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate has a molecular weight of 384.47 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,8-dioxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 21134178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).