tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate

C16H22O8 — CID 14228082

IUPACtetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1C2CC(C)(C1C(=O)OC)C(C(=O)OC)C2C(=O)OC
InChIInChI=1S/C16H22O8/c1-16-6-7(8(12(17)21-2)10(16)14(19)23-4)9(13(18)22-3)11(16)15(20)24-5/h7-11H,6H2,1-5H3
InChIKeyUDWFKHWXUQMFTM-UHFFFAOYSA-N
MW342.34 g/mol
LogP0.18
Rot. Bonds4

About tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate

tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate (PubChem CID 14228082) has the molecular formula C16H22O8 and a molecular weight of 342.34 g/mol. Its IUPAC name is tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
PubChem CID14228082
Molecular FormulaC16H22O8
Molecular Weight342.34 g/mol
Exact Mass342.13
IUPAC Nametetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
SMILESCOC(=O)C1C2CC(C)(C1C(=O)OC)C(C(=O)OC)C2C(=O)OC
InChIInChI=1S/C16H22O8/c1-16-6-7(8(12(17)21-2)10(16)14(19)23-4)9(13(18)22-3)11(16)15(20)24-5/h7-11H,6H2,1-5H3
InChIKeyUDWFKHWXUQMFTM-UHFFFAOYSA-N
XLogP0.18
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 50.18
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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Related Compounds

Dimethyl bicyclo(2.2.1)heptane-2,3-dicarboxylate
CID 288659
Diethyl tricyclo[3.2.1.02,4]octane-2,4-dicarboxylate
CID 372438
Tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate
CID 5243219
Tetraethyl cyclohexane-1,2,4,5-tetracarboxylate
CID 275355
Bicyclo[2.2.1]heptane-1,2-dicarboxylic acid, dimethyl ester
CID 581033
myo-1,2,3,4,5,6-Hexamethoxycarbonylcyclohexane
CID 613618
Tetramethyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 14228080
Tetramethyl 1,2,3,4,5,6-hexahydropentalene-2,3a,5,6a-tetracarboxylate
CID 5243220
Cis,cis,cis-Tetramethyl 1,2,4,5-cyclohexanetetracarboxylate
CID 102016488
Bicyclo[2.2.1]heptane-3-acetic acid, 2-methoxycarbonyl-, methyl ester
CID 597110
dimethyl (1S,2R,3S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 12428780
Methyl 1,7,7-trimethyl-6-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 12229815

Frequently Asked Questions

What is the IUPAC name of tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate?
The IUPAC name of tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate (CID 14228082) is tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate.
What is the SMILES notation for tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate?
The canonical SMILES for tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate is COC(=O)C1C2CC(C)(C1C(=O)OC)C(C(=O)OC)C2C(=O)OC.
What is the InChIKey of tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate?
The InChIKey is UDWFKHWXUQMFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O8/c1-16-6-7(8(12(17)21-2)10(16)14(19)23-4)9(13(18)22-3)11(16)15(20)24-5/h7-11H,6H2,1-5H3.
What are the key properties of tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate?
tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate has a molecular weight of 342.34 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate is sourced from PubChem (CID 14228082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).