CID 54228796

C4H9OSi — CID 54228796

IUPAC—
SMILESC=C[Si](C)OC
InChIInChI=1S/C4H9OSi/c1-4-6(3)5-2/h4H,1H2,2-3H3
InChIKeyQHTAIAOJIZGSTB-UHFFFAOYSA-N
MW101.20 g/mol
LogP0.98
Rot. Bonds2

About CID 54228796

CID 54228796 (PubChem CID 54228796) has the molecular formula C4H9OSi and a molecular weight of 101.20 g/mol.

Molecular Properties

Compound NameCID 54228796
PubChem CID54228796
Molecular FormulaC4H9OSi
Molecular Weight101.20 g/mol
Exact Mass101.04
IUPAC Name—
SMILESC=C[Si](C)OC
InChIInChI=1S/C4H9OSi/c1-4-6(3)5-2/h4H,1H2,2-3H3
InChIKeyQHTAIAOJIZGSTB-UHFFFAOYSA-N
XLogP0.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.20
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54228796?
The IUPAC name of CID 54228796 (CID 54228796) is not available.
What is the SMILES notation for CID 54228796?
The canonical SMILES for CID 54228796 is C=C[Si](C)OC.
What is the InChIKey of CID 54228796?
The InChIKey is QHTAIAOJIZGSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9OSi/c1-4-6(3)5-2/h4H,1H2,2-3H3.
What are the key properties of CID 54228796?
CID 54228796 has a molecular weight of 101.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54228796 is sourced from PubChem (CID 54228796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).