tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate

C15H20O8 — CID 14228080

IUPACtetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1C2CC(C1C(=O)OC)C(C(=O)OC)C2C(=O)OC
InChIInChI=1S/C15H20O8/c1-20-12(16)8-6-5-7(9(8)13(17)21-2)11(15(19)23-4)10(6)14(18)22-3/h6-11H,5H2,1-4H3
InChIKeyKEXTULOBLRBBTF-UHFFFAOYSA-N
MW328.32 g/mol
LogP-0.21
Rot. Bonds4

About tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate

tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate (PubChem CID 14228080) has the molecular formula C15H20O8 and a molecular weight of 328.32 g/mol. Its IUPAC name is tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
PubChem CID14228080
Molecular FormulaC15H20O8
Molecular Weight328.32 g/mol
Exact Mass328.12
IUPAC Nametetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1C2CC(C1C(=O)OC)C(C(=O)OC)C2C(=O)OC
InChIInChI=1S/C15H20O8/c1-20-12(16)8-6-5-7(9(8)13(17)21-2)11(15(19)23-4)10(6)14(18)22-3/h6-11H,5H2,1-4H3
InChIKeyKEXTULOBLRBBTF-UHFFFAOYSA-N
XLogP-0.21
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 5-0.21
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 bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate?
The IUPAC name of tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate (CID 14228080) is tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate.
What is the SMILES notation for tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate?
The canonical SMILES for tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate is COC(=O)C1C2CC(C1C(=O)OC)C(C(=O)OC)C2C(=O)OC.
What is the InChIKey of tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate?
The InChIKey is KEXTULOBLRBBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O8/c1-20-12(16)8-6-5-7(9(8)13(17)21-2)11(15(19)23-4)10(6)14(18)22-3/h6-11H,5H2,1-4H3.
What are the key properties of tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate?
tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate has a molecular weight of 328.32 g/mol, XLogP of -0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate is sourced from PubChem (CID 14228080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).