CID 59893545

C10H16O4Y- — CID 59893545

IUPAC—
SMILES[CH2-]C(C)(C[C](C)C(=O)OC)C(=O)OC.[Y]
InChIInChI=1S/C10H16O4.Y/c1-7(8(11)13-4)6-10(2,3)9(12)14-5;/h2,6H2,1,3-5H3;/q-1;
InChIKeyOKOVNLUHCAUYQU-UHFFFAOYSA-N
MW289.14 g/mol
LogP1.15
Rot. Bonds4

About CID 59893545

CID 59893545 (PubChem CID 59893545) has the molecular formula C10H16O4Y- and a molecular weight of 289.14 g/mol.

Molecular Properties

Compound NameCID 59893545
PubChem CID59893545
Molecular FormulaC10H16O4Y-
Molecular Weight289.14 g/mol
Exact Mass289.01
IUPAC Name—
SMILES[CH2-]C(C)(C[C](C)C(=O)OC)C(=O)OC.[Y]
InChIInChI=1S/C10H16O4.Y/c1-7(8(11)13-4)6-10(2,3)9(12)14-5;/h2,6H2,1,3-5H3;/q-1;
InChIKeyOKOVNLUHCAUYQU-UHFFFAOYSA-N
XLogP1.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze CID 59893545 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59893545?
The IUPAC name of CID 59893545 (CID 59893545) is not available.
What is the SMILES notation for CID 59893545?
The canonical SMILES for CID 59893545 is [CH2-]C(C)(C[C](C)C(=O)OC)C(=O)OC.[Y].
What is the InChIKey of CID 59893545?
The InChIKey is OKOVNLUHCAUYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4.Y/c1-7(8(11)13-4)6-10(2,3)9(12)14-5;/h2,6H2,1,3-5H3;/q-1;.
What are the key properties of CID 59893545?
CID 59893545 has a molecular weight of 289.14 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59893545 is sourced from PubChem (CID 59893545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).