pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate

C16H18O10 — CID 3366937

IUPACpentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C16H18O10/c1-16(15(21)26-6)9(13(19)24-4)7(11(17)22-2)8(12(18)23-3)10(16)14(20)25-5/h1-6H3
InChIKeyGQFYNSUBULZEJM-UHFFFAOYSA-N
MW370.31 g/mol
LogP-0.54
Rot. Bonds5

About pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate

pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate (PubChem CID 3366937) has the molecular formula C16H18O10 and a molecular weight of 370.31 g/mol. Its IUPAC name is pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate.

Molecular Properties

Compound Namepentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
PubChem CID3366937
Molecular FormulaC16H18O10
Molecular Weight370.31 g/mol
Exact Mass370.09
IUPAC Namepentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)C(C)(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C16H18O10/c1-16(15(21)26-6)9(13(19)24-4)7(11(17)22-2)8(12(18)23-3)10(16)14(20)25-5/h1-6H3
InChIKeyGQFYNSUBULZEJM-UHFFFAOYSA-N
XLogP-0.54
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
The IUPAC name of pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate (CID 3366937) is pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate.
What is the SMILES notation for pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
The canonical SMILES for pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate is COC(=O)C1=C(C(=O)OC)C(C)(C(=O)OC)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
The InChIKey is GQFYNSUBULZEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O10/c1-16(15(21)26-6)9(13(19)24-4)7(11(17)22-2)8(12(18)23-3)10(16)14(20)25-5/h1-6H3.
What are the key properties of pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate has a molecular weight of 370.31 g/mol, XLogP of -0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentamethyl 5-methylcyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate is sourced from PubChem (CID 3366937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).