tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate

C18H22O8 — CID 11137015

IUPACtetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C1=CC(C)(C)C
InChIInChI=1S/C18H22O8/c1-18(2,3)8-9-10(14(19)23-4)12(16(21)25-6)13(17(22)26-7)11(9)15(20)24-5/h8H,1-7H3
InChIKeyFJJCTNNGPFGFBC-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.26
Rot. Bonds4

About tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate

tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate (PubChem CID 11137015) has the molecular formula C18H22O8 and a molecular weight of 366.37 g/mol. Its IUPAC name is tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate
PubChem CID11137015
Molecular FormulaC18H22O8
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Nametetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C1=CC(C)(C)C
InChIInChI=1S/C18H22O8/c1-18(2,3)8-9-10(14(19)23-4)12(16(21)25-6)13(17(22)26-7)11(9)15(20)24-5/h8H,1-7H3
InChIKeyFJJCTNNGPFGFBC-UHFFFAOYSA-N
XLogP1.26
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.26
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-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?
The IUPAC name of tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate (CID 11137015) is tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate.
What is the SMILES notation for tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?
The canonical SMILES for tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate is COC(=O)C1=C(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C1=CC(C)(C)C.
What is the InChIKey of tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?
The InChIKey is FJJCTNNGPFGFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O8/c1-18(2,3)8-9-10(14(19)23-4)12(16(21)25-6)13(17(22)26-7)11(9)15(20)24-5/h8H,1-7H3.
What are the key properties of tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?
tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate has a molecular weight of 366.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 5-(2,2-dimethylpropylidene)cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 11137015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).