tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate

C16H20O8 — CID 12616422

IUPACtetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate
SMILESCOC(=O)C1C2C(C(=O)OC)C3C(C(=O)OC)C2C(C(=O)OC)C13
InChIInChI=1S/C16H20O8/c1-21-13(17)9-5-8-11(15(19)23-3)6(9)7(10(5)14(18)22-2)12(8)16(20)24-4/h5-12H,1-4H3
InChIKeyMLZSKPRTTBMNML-UHFFFAOYSA-N
MW340.33 g/mol
LogP-0.35
Rot. Bonds4

About tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate

tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate (PubChem CID 12616422) 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-2,4,6,8-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate
PubChem CID12616422
Molecular FormulaC16H20O8
Molecular Weight340.33 g/mol
Exact Mass340.12
IUPAC Nametetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate
SMILESCOC(=O)C1C2C(C(=O)OC)C3C(C(=O)OC)C2C(C(=O)OC)C13
InChIInChI=1S/C16H20O8/c1-21-13(17)9-5-8-11(15(19)23-3)6(9)7(10(5)14(18)22-2)12(8)16(20)24-4/h5-12H,1-4H3
InChIKeyMLZSKPRTTBMNML-UHFFFAOYSA-N
XLogP-0.35
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 ≤ 5-0.35
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[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate?
The IUPAC name of tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate (CID 12616422) is tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate.
What is the SMILES notation for tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate?
The canonical SMILES for tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate is COC(=O)C1C2C(C(=O)OC)C3C(C(=O)OC)C2C(C(=O)OC)C13.
What is the InChIKey of tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate?
The InChIKey is MLZSKPRTTBMNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O8/c1-21-13(17)9-5-8-11(15(19)23-3)6(9)7(10(5)14(18)22-2)12(8)16(20)24-4/h5-12H,1-4H3.
What are the key properties of tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate?
tetramethyl tricyclo[3.3.0.03,7]octane-2,4,6,8-tetracarboxylate has a molecular weight of 340.33 g/mol, XLogP of -0.35, 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-2,4,6,8-tetracarboxylate is sourced from PubChem (CID 12616422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).