tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate

C16H20O8 — CID 5243219

IUPACtetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate
SMILESCOC(=O)C12CC3(C(=O)OC)CC1(C(=O)OC)CC3(C(=O)OC)C2
InChIInChI=1S/C16H20O8/c1-21-9(17)13-5-15(11(19)23-3)7-14(13,10(18)22-2)8-16(15,6-13)12(20)24-4/h5-8H2,1-4H3
InChIKeyCEVAKHWHFYBFJV-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.23
Rot. Bonds4

About tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate

tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate (PubChem CID 5243219) has the molecular formula C16H20O8 and a molecular weight of 340.33 g/mol. Its IUPAC name is tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate
PubChem CID5243219
Molecular FormulaC16H20O8
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Nametetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate
SMILESCOC(=O)C12CC3(C(=O)OC)CC1(C(=O)OC)CC3(C(=O)OC)C2
InChIInChI=1S/C16H20O8/c1-21-9(17)13-5-15(11(19)23-3)7-14(13,10(18)22-2)8-16(15,6-13)12(20)24-4/h5-8H2,1-4H3
InChIKeyCEVAKHWHFYBFJV-UHFFFAOYSA-N
XLogP0.23
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.23
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

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
Methyl 5-(2,2-dimethylpropanoyl)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
CID 23245742
Tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylic acid
CID 102386939
Dimethyl 5,7-diiodotricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
CID 102386941
Tetramethyl 1-methylbicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 14228082
Dimethyl 5-[4-(1-methoxy-2-methyl-1-oxopropan-2-yl)-2,5-dioxooxolan-3-yl]-6-methylbicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 20678190
3-[(3-Methyl-2-oxooxolan-3-yl)methyl]-4-(3,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)oxolane-2,5-dione
CID 22982281
Methyl 2-[2,5-dioxo-4-(3,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)oxolan-3-yl]-2-methyl-3-(4-methyl-2-oxooxolan-3-yl)propanoate
CID 22982294
Methyl 2-[2,5-dioxo-4-(3,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)oxolan-3-yl]-2-methyl-4-(3-methyl-2-oxooxolan-3-yl)butanoate
CID 22982296
1-[2-Oxo-2-[2-(2,3,5-tricarboxy-1-bicyclo[2.2.1]heptanyl)acetyl]oxyethyl]bicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid
CID 57283987
Methyl 3-[2,5-dioxo-4-(3,5,6-trimethyl-2-bicyclo[2.2.1]heptanyl)oxolan-3-yl]-2,2-dimethylpropanoate
CID 59899849

Frequently Asked Questions

What is the IUPAC name of tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate?
The IUPAC name of tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate (CID 5243219) is tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate.
What is the SMILES notation for tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate?
The canonical SMILES for tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate is COC(=O)C12CC3(C(=O)OC)CC1(C(=O)OC)CC3(C(=O)OC)C2.
What is the InChIKey of tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate?
The InChIKey is CEVAKHWHFYBFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O8/c1-21-9(17)13-5-15(11(19)23-3)7-14(13,10(18)22-2)8-16(15,6-13)12(20)24-4/h5-8H2,1-4H3.
What are the key properties of tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate?
tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate has a molecular weight of 340.33 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl tricyclo[3.3.0.03,7]octane-1,3,5,7-tetracarboxylate is sourced from PubChem (CID 5243219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).