CID 59055624

C11H14O4 — CID 59055624

IUPAC—
SMILESCC(=O)C[CH]C(=O)CC(=O)[CH]CC(C)=O
InChIInChI=1S/C11H14O4/c1-8(12)3-5-10(14)7-11(15)6-4-9(2)13/h5-6H,3-4,7H2,1-2H3
InChIKeyJUIQYUSKZNSRKW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.88
Rot. Bonds8

About CID 59055624

CID 59055624 (PubChem CID 59055624) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol.

Molecular Properties

Compound NameCID 59055624
PubChem CID59055624
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name—
SMILESCC(=O)C[CH]C(=O)CC(=O)[CH]CC(C)=O
InChIInChI=1S/C11H14O4/c1-8(12)3-5-10(14)7-11(15)6-4-9(2)13/h5-6H,3-4,7H2,1-2H3
InChIKeyJUIQYUSKZNSRKW-UHFFFAOYSA-N
XLogP0.88
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59055624?
The IUPAC name of CID 59055624 (CID 59055624) is not available.
What is the SMILES notation for CID 59055624?
The canonical SMILES for CID 59055624 is CC(=O)C[CH]C(=O)CC(=O)[CH]CC(C)=O.
What is the InChIKey of CID 59055624?
The InChIKey is JUIQYUSKZNSRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(12)3-5-10(14)7-11(15)6-4-9(2)13/h5-6H,3-4,7H2,1-2H3.
What are the key properties of CID 59055624?
CID 59055624 has a molecular weight of 210.23 g/mol, XLogP of 0.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59055624 is sourced from PubChem (CID 59055624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).