CID 22770250

C8H14O3Si — CID 22770250

IUPAC—
SMILESC1CC[Si]OC1.C=COC(C)=O
InChIInChI=1S/C4H6O2.C4H8OSi/c1-3-6-4(2)5;1-2-4-6-5-3-1/h3H,1H2,2H3;1-4H2
InChIKeyFBZPXUNSVIZOLD-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.53
Rot. Bonds1

About CID 22770250

CID 22770250 (PubChem CID 22770250) has the molecular formula C8H14O3Si and a molecular weight of 186.28 g/mol.

Molecular Properties

Compound NameCID 22770250
PubChem CID22770250
Molecular FormulaC8H14O3Si
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name—
SMILESC1CC[Si]OC1.C=COC(C)=O
InChIInChI=1S/C4H6O2.C4H8OSi/c1-3-6-4(2)5;1-2-4-6-5-3-1/h3H,1H2,2H3;1-4H2
InChIKeyFBZPXUNSVIZOLD-UHFFFAOYSA-N
XLogP1.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 22770250?
The IUPAC name of CID 22770250 (CID 22770250) is not available.
What is the SMILES notation for CID 22770250?
The canonical SMILES for CID 22770250 is C1CC[Si]OC1.C=COC(C)=O.
What is the InChIKey of CID 22770250?
The InChIKey is FBZPXUNSVIZOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C4H8OSi/c1-3-6-4(2)5;1-2-4-6-5-3-1/h3H,1H2,2H3;1-4H2.
What are the key properties of CID 22770250?
CID 22770250 has a molecular weight of 186.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22770250 is sourced from PubChem (CID 22770250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).