pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate

C17H20O11 — CID 10092371

IUPACpentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
SMILESCOCC1(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C17H20O11/c1-23-7-17(16(22)28-6)10(14(20)26-4)8(12(18)24-2)9(13(19)25-3)11(17)15(21)27-5/h7H2,1-6H3
InChIKeyVOMUIIRLIMENGQ-UHFFFAOYSA-N
MW400.34 g/mol
LogP-0.91
Rot. Bonds7

About pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate

pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate (PubChem CID 10092371) has the molecular formula C17H20O11 and a molecular weight of 400.34 g/mol. Its IUPAC name is pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate.

Molecular Properties

Compound Namepentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
PubChem CID10092371
Molecular FormulaC17H20O11
Molecular Weight400.34 g/mol
Exact Mass400.10
IUPAC Namepentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate
SMILESCOCC1(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C17H20O11/c1-23-7-17(16(22)28-6)10(14(20)26-4)8(12(18)24-2)9(13(19)25-3)11(17)15(21)27-5/h7H2,1-6H3
InChIKeyVOMUIIRLIMENGQ-UHFFFAOYSA-N
XLogP-0.91
TPSA140.73 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.34
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
The IUPAC name of pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate (CID 10092371) is pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate.
What is the SMILES notation for pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
The canonical SMILES for pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate is COCC1(C(=O)OC)C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
The InChIKey is VOMUIIRLIMENGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O11/c1-23-7-17(16(22)28-6)10(14(20)26-4)8(12(18)24-2)9(13(19)25-3)11(17)15(21)27-5/h7H2,1-6H3.
What are the key properties of pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate?
pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate has a molecular weight of 400.34 g/mol, XLogP of -0.91, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for pentamethyl 5-(methoxymethyl)cyclopenta-1,3-diene-1,2,3,4,5-pentacarboxylate is sourced from PubChem (CID 10092371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).