tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate

C20H24O10 — CID 117071054

IUPACtetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate
SMILESCOC(=O)C1=C(O)C(C(=O)OC)C23CCCCC12C(C(=O)OC)C(O)=C3C(=O)OC
InChIInChI=1S/C20H24O10/c1-27-15(23)9-13(21)10(16(24)28-2)20-8-6-5-7-19(9,20)11(17(25)29-3)14(22)12(20)18(26)30-4/h9,12,21-22H,5-8H2,1-4H3
InChIKeyKRFQNBNYNBJKLD-UHFFFAOYSA-N
MW424.40 g/mol
LogP1.11
Rot. Bonds4

About tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate

tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate (PubChem CID 117071054) has the molecular formula C20H24O10 and a molecular weight of 424.40 g/mol. Its IUPAC name is tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate
PubChem CID117071054
Molecular FormulaC20H24O10
Molecular Weight424.40 g/mol
Exact Mass424.14
IUPAC Nametetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate
SMILESCOC(=O)C1=C(O)C(C(=O)OC)C23CCCCC12C(C(=O)OC)C(O)=C3C(=O)OC
InChIInChI=1S/C20H24O10/c1-27-15(23)9-13(21)10(16(24)28-2)20-8-6-5-7-19(9,20)11(17(25)29-3)14(22)12(20)18(26)30-4/h9,12,21-22H,5-8H2,1-4H3
InChIKeyKRFQNBNYNBJKLD-UHFFFAOYSA-N
XLogP1.11
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate?
The IUPAC name of tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate (CID 117071054) is tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate.
What is the SMILES notation for tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate?
The canonical SMILES for tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate is COC(=O)C1=C(O)C(C(=O)OC)C23CCCCC12C(C(=O)OC)C(O)=C3C(=O)OC.
What is the InChIKey of tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate?
The InChIKey is KRFQNBNYNBJKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O10/c1-27-15(23)9-13(21)10(16(24)28-2)20-8-6-5-7-19(9,20)11(17(25)29-3)14(22)12(20)18(26)30-4/h9,12,21-22H,5-8H2,1-4H3.
What are the key properties of tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate?
tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate has a molecular weight of 424.40 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate is sourced from PubChem (CID 117071054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).