1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid

C11H14O8 — CID 142601138

IUPAC1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid
SMILESCCC1(C(=O)O)C(C(=O)O)C(C)(C(=O)O)C1C(=O)O
InChIInChI=1S/C11H14O8/c1-3-11(9(18)19)4(6(12)13)10(2,8(16)17)5(11)7(14)15/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
InChIKeyPQXVZMJZXUIRHK-UHFFFAOYSA-N
MW274.23 g/mol
LogP-0.03
Rot. Bonds5

About 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid

1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid (PubChem CID 142601138) has the molecular formula C11H14O8 and a molecular weight of 274.23 g/mol. Its IUPAC name is 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid
PubChem CID142601138
Molecular FormulaC11H14O8
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid
SMILESCCC1(C(=O)O)C(C(=O)O)C(C)(C(=O)O)C1C(=O)O
InChIInChI=1S/C11H14O8/c1-3-11(9(18)19)4(6(12)13)10(2,8(16)17)5(11)7(14)15/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
InChIKeyPQXVZMJZXUIRHK-UHFFFAOYSA-N
XLogP-0.03
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid (CID 142601138) is 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid is CCC1(C(=O)O)C(C(=O)O)C(C)(C(=O)O)C1C(=O)O.
What is the InChIKey of 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid?
The InChIKey is PQXVZMJZXUIRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O8/c1-3-11(9(18)19)4(6(12)13)10(2,8(16)17)5(11)7(14)15/h4-5H,3H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid?
1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid has a molecular weight of 274.23 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylcyclobutane-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 142601138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).