tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate

C24H24O8 — CID 634912

IUPACtetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate
SMILESCOC(=O)c1c2ccc(c1C(=O)OC)CCc1ccc(c(C(=O)OC)c1C(=O)OC)CC2
InChIInChI=1S/C24H24O8/c1-29-21(25)17-13-5-6-14(18(17)22(26)30-2)11-12-16-8-7-15(10-9-13)19(23(27)31-3)20(16)24(28)32-4/h5-8H,9-12H2,1-4H3
InChIKeyZUYBKGPVJPHPTM-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.72
Rot. Bonds4

About tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate

tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate (PubChem CID 634912) has the molecular formula C24H24O8 and a molecular weight of 440.45 g/mol. Its IUPAC name is tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate
PubChem CID634912
Molecular FormulaC24H24O8
Molecular Weight440.45 g/mol
Exact Mass440.15
IUPAC Nametetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate
SMILESCOC(=O)c1c2ccc(c1C(=O)OC)CCc1ccc(c(C(=O)OC)c1C(=O)OC)CC2
InChIInChI=1S/C24H24O8/c1-29-21(25)17-13-5-6-14(18(17)22(26)30-2)11-12-16-8-7-15(10-9-13)19(23(27)31-3)20(16)24(28)32-4/h5-8H,9-12H2,1-4H3
InChIKeyZUYBKGPVJPHPTM-UHFFFAOYSA-N
XLogP2.72
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate?
The IUPAC name of tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate (CID 634912) is tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate.
What is the SMILES notation for tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate?
The canonical SMILES for tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate is COC(=O)c1c2ccc(c1C(=O)OC)CCc1ccc(c(C(=O)OC)c1C(=O)OC)CC2.
What is the InChIKey of tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate?
The InChIKey is ZUYBKGPVJPHPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O8/c1-29-21(25)17-13-5-6-14(18(17)22(26)30-2)11-12-16-8-7-15(10-9-13)19(23(27)31-3)20(16)24(28)32-4/h5-8H,9-12H2,1-4H3.
What are the key properties of tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate?
tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate has a molecular weight of 440.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaene-5,6,11,12-tetracarboxylate is sourced from PubChem (CID 634912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).