CID 87506703

C4H10InO2 — CID 87506703

IUPAC—
SMILESCCO[In]OCC
InChIInChI=1S/2C2H5O.In/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
InChIKeyUWMRIXAPPKJTBD-UHFFFAOYSA-N
MW204.94 g/mol
LogP0.59
Rot. Bonds4

About CID 87506703

CID 87506703 (PubChem CID 87506703) has the molecular formula C4H10InO2 and a molecular weight of 204.94 g/mol.

Molecular Properties

Compound NameCID 87506703
PubChem CID87506703
Molecular FormulaC4H10InO2
Molecular Weight204.94 g/mol
Exact Mass204.97
IUPAC Name—
SMILESCCO[In]OCC
InChIInChI=1S/2C2H5O.In/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2
InChIKeyUWMRIXAPPKJTBD-UHFFFAOYSA-N
XLogP0.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.94
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 87506703 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 87506703?
The IUPAC name of CID 87506703 (CID 87506703) is not available.
What is the SMILES notation for CID 87506703?
The canonical SMILES for CID 87506703 is CCO[In]OCC.
What is the InChIKey of CID 87506703?
The InChIKey is UWMRIXAPPKJTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O.In/c2*1-2-3;/h2*2H2,1H3;/q2*-1;+2.
What are the key properties of CID 87506703?
CID 87506703 has a molecular weight of 204.94 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87506703 is sourced from PubChem (CID 87506703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).