CID 87061462

C3H4O2Si — CID 87061462

IUPAC—
SMILESC=CC(=O)O.[Si]
InChIInChI=1S/C3H4O2.Si/c1-2-3(4)5;/h2H,1H2,(H,4,5);
InChIKeyBKLGNGGEJNHIQT-UHFFFAOYSA-N
MW100.15 g/mol
LogP-0.12
Rot. Bonds1

About CID 87061462

CID 87061462 (PubChem CID 87061462) has the molecular formula C3H4O2Si and a molecular weight of 100.15 g/mol.

Molecular Properties

Compound NameCID 87061462
PubChem CID87061462
Molecular FormulaC3H4O2Si
Molecular Weight100.15 g/mol
Exact Mass100.00
IUPAC Name—
SMILESC=CC(=O)O.[Si]
InChIInChI=1S/C3H4O2.Si/c1-2-3(4)5;/h2H,1H2,(H,4,5);
InChIKeyBKLGNGGEJNHIQT-UHFFFAOYSA-N
XLogP-0.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.15
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 87061462?
The IUPAC name of CID 87061462 (CID 87061462) is not available.
What is the SMILES notation for CID 87061462?
The canonical SMILES for CID 87061462 is C=CC(=O)O.[Si].
What is the InChIKey of CID 87061462?
The InChIKey is BKLGNGGEJNHIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O2.Si/c1-2-3(4)5;/h2H,1H2,(H,4,5);.
What are the key properties of CID 87061462?
CID 87061462 has a molecular weight of 100.15 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87061462 is sourced from PubChem (CID 87061462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).