tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate

C20H24O8 — CID 14786939

IUPACtetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C(=O)OC)C3CCC2C2CCC3C12C(=O)OC
InChIInChI=1S/C20H24O8/c1-25-15(21)13-14(16(22)26-2)20(18(24)28-4)11-7-8-12(20)10-6-5-9(11)19(10,13)17(23)27-3/h9-12H,5-8H2,1-4H3
InChIKeyALAHITGLNQFEQG-UHFFFAOYSA-N
MW392.40 g/mol
LogP1.03
Rot. Bonds4

About tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate

tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate (PubChem CID 14786939) has the molecular formula C20H24O8 and a molecular weight of 392.40 g/mol. Its IUPAC name is tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate
PubChem CID14786939
Molecular FormulaC20H24O8
Molecular Weight392.40 g/mol
Exact Mass392.15
IUPAC Nametetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C2(C(=O)OC)C3CCC2C2CCC3C12C(=O)OC
InChIInChI=1S/C20H24O8/c1-25-15(21)13-14(16(22)26-2)20(18(24)28-4)11-7-8-12(20)10-6-5-9(11)19(10,13)17(23)27-3/h9-12H,5-8H2,1-4H3
InChIKeyALAHITGLNQFEQG-UHFFFAOYSA-N
XLogP1.03
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate with MolForge

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Related Compounds

methyl 7-phenylbicyclo[4.1.0]heptane-7-carboxylate
CID 22084933
tetramethyl (1S,2R,8S,9R,15R,16R)-7,14-dioxopentacyclo[7.5.1.12,5.012,15.08,16]hexadeca-5,12-diene-1,6,8,13-tetracarboxylate
CID 14292525
methyl 3,3-dimethyl-9-oxotricyclo[3.3.1.02,8]nonane-1-carboxylate
CID 102508654
methyl (6R)-8-oxotricyclo[4.3.0.02,9]nonane-9-carboxylate
CID 102192950
methyl 3-hydroxy-2,6,6-trimethylcyclohexene-1-carboxylate
CID 10965493
dimethyl bicyclo[5.1.0]octane-8,8-dicarboxylate
CID 14547848
dimethyl 1,3a,4,5,6,7,7a,7b-octahydrocyclopropa[a]naphthalene-1a,2-dicarboxylate
CID 134845423
methyl 3-oxo-4-prop-1-en-2-yl-1,2,4,6a-tetrahydropentalene-3a-carboxylate
CID 14023134
dimethyl (1S,4S)-bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 124541983
methyl 4-oxobicyclo[3.2.0]heptane-1-carboxylate
CID 130037727
trimethyl (2S,5S)-5-methyl-2-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate
CID 16726888
tetramethyl 2-phenyl-2H-furan-3,4,5,5-tetracarboxylate
CID 12820172

Frequently Asked Questions

What is the IUPAC name of tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate?
The IUPAC name of tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate (CID 14786939) is tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate.
What is the SMILES notation for tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate?
The canonical SMILES for tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate is COC(=O)C1=C(C(=O)OC)C2(C(=O)OC)C3CCC2C2CCC3C12C(=O)OC.
What is the InChIKey of tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate?
The InChIKey is ALAHITGLNQFEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O8/c1-25-15(21)13-14(16(22)26-2)20(18(24)28-4)11-7-8-12(20)10-6-5-9(11)19(10,13)17(23)27-3/h9-12H,5-8H2,1-4H3.
What are the key properties of tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate?
tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate has a molecular weight of 392.40 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl tetracyclo[6.4.0.04,12.05,9]dodec-10-ene-9,10,11,12-tetracarboxylate is sourced from PubChem (CID 14786939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).