tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate

C14H16O8 — CID 13250023

IUPACtetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C14H16O8/c1-6-7(11(15)19-2)9(13(17)21-4)10(14(18)22-5)8(6)12(16)20-3/h6H,1-5H3
InChIKeyQXHYYGGWBDIRFQ-UHFFFAOYSA-N
MW312.27 g/mol
LogP-0.08
Rot. Bonds4

About tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate

tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate (PubChem CID 13250023) has the molecular formula C14H16O8 and a molecular weight of 312.27 g/mol. Its IUPAC name is tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate
PubChem CID13250023
Molecular FormulaC14H16O8
Molecular Weight312.27 g/mol
Exact Mass312.08
IUPAC Nametetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C14H16O8/c1-6-7(11(15)19-2)9(13(17)21-4)10(14(18)22-5)8(6)12(16)20-3/h6H,1-5H3
InChIKeyQXHYYGGWBDIRFQ-UHFFFAOYSA-N
XLogP-0.08
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 5-0.08
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 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?
The IUPAC name of tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate (CID 13250023) is tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate is COC(=O)C1=C(C(=O)OC)C(C)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?
The InChIKey is QXHYYGGWBDIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O8/c1-6-7(11(15)19-2)9(13(17)21-4)10(14(18)22-5)8(6)12(16)20-3/h6H,1-5H3.
What are the key properties of tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?
tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate has a molecular weight of 312.27 g/mol, XLogP of -0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 5-methylcyclopenta-1,3-diene-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 13250023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).