CID 19771158

C4H7O2Si — CID 19771158

IUPAC—
SMILESC=C(O[Si])OCC
InChIInChI=1S/C4H7O2Si/c1-3-5-4(2)6-7/h2-3H2,1H3
InChIKeyHQLDXHDPXFIJDD-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.59
Rot. Bonds3

About CID 19771158

CID 19771158 (PubChem CID 19771158) has the molecular formula C4H7O2Si and a molecular weight of 115.18 g/mol.

Molecular Properties

Compound NameCID 19771158
PubChem CID19771158
Molecular FormulaC4H7O2Si
Molecular Weight115.18 g/mol
Exact Mass115.02
IUPAC Name—
SMILESC=C(O[Si])OCC
InChIInChI=1S/C4H7O2Si/c1-3-5-4(2)6-7/h2-3H2,1H3
InChIKeyHQLDXHDPXFIJDD-UHFFFAOYSA-N
XLogP0.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19771158?
The IUPAC name of CID 19771158 (CID 19771158) is not available.
What is the SMILES notation for CID 19771158?
The canonical SMILES for CID 19771158 is C=C(O[Si])OCC.
What is the InChIKey of CID 19771158?
The InChIKey is HQLDXHDPXFIJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O2Si/c1-3-5-4(2)6-7/h2-3H2,1H3.
What are the key properties of CID 19771158?
CID 19771158 has a molecular weight of 115.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19771158 is sourced from PubChem (CID 19771158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).