[(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate

C24H28O4 — CID 143758932

IUPAC[(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate
SMILESCCC1CC2OC1[C@H]1C(=O)C(c3c(C)cc(C)cc3C)=C(OC(=O)C3CC3)[C@@H]21
InChIInChI=1S/C24H28O4/c1-5-14-10-16-18-20(22(14)27-16)21(25)19(23(18)28-24(26)15-6-7-15)17-12(3)8-11(2)9-13(17)4/h8-9,14-16,18,20,22H,5-7,10H2,1-4H3/t14?,16?,18-,20+,22?/m0/s1
InChIKeyXEAFNAXJBFKMOL-LADYDDMKSA-N
MW380.48 g/mol
LogP4.29
Rot. Bonds4

About [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate

[(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate (PubChem CID 143758932) has the molecular formula C24H28O4 and a molecular weight of 380.48 g/mol. Its IUPAC name is [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate
PubChem CID143758932
Molecular FormulaC24H28O4
Molecular Weight380.48 g/mol
Exact Mass380.20
IUPAC Name[(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate
SMILESCCC1CC2OC1[C@H]1C(=O)C(c3c(C)cc(C)cc3C)=C(OC(=O)C3CC3)[C@@H]21
InChIInChI=1S/C24H28O4/c1-5-14-10-16-18-20(22(14)27-16)21(25)19(23(18)28-24(26)15-6-7-15)17-12(3)8-11(2)9-13(17)4/h8-9,14-16,18,20,22H,5-7,10H2,1-4H3/t14?,16?,18-,20+,22?/m0/s1
InChIKeyXEAFNAXJBFKMOL-LADYDDMKSA-N
XLogP4.29
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate?
The IUPAC name of [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate (CID 143758932) is [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate.
What is the SMILES notation for [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate?
The canonical SMILES for [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate is CCC1CC2OC1[C@H]1C(=O)C(c3c(C)cc(C)cc3C)=C(OC(=O)C3CC3)[C@@H]21.
What is the InChIKey of [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate?
The InChIKey is XEAFNAXJBFKMOL-LADYDDMKSA-N. The full InChI is InChI=1S/C24H28O4/c1-5-14-10-16-18-20(22(14)27-16)21(25)19(23(18)28-24(26)15-6-7-15)17-12(3)8-11(2)9-13(17)4/h8-9,14-16,18,20,22H,5-7,10H2,1-4H3/t14?,16?,18-,20+,22?/m0/s1.
What are the key properties of [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate?
[(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate has a molecular weight of 380.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-8-ethyl-5-oxo-4-(2,4,6-trimethylphenyl)-10-oxatricyclo[5.2.1.02,6]dec-3-en-3-yl] cyclopropanecarboxylate is sourced from PubChem (CID 143758932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).