CID 22321303

C8H13O2Si — CID 22321303

IUPAC—
SMILESC=C.C=COC(C)=O.C=C[Si]
InChIInChI=1S/C4H6O2.C2H3Si.C2H4/c1-3-6-4(2)5;1-2-3;1-2/h3H,1H2,2H3;2H,1H2;1-2H2
InChIKeyPJNPJNBUIKDIPW-UHFFFAOYSA-N
MW169.28 g/mol
LogP1.79
Rot. Bonds1

About CID 22321303

CID 22321303 (PubChem CID 22321303) has the molecular formula C8H13O2Si and a molecular weight of 169.28 g/mol.

Molecular Properties

Compound NameCID 22321303
PubChem CID22321303
Molecular FormulaC8H13O2Si
Molecular Weight169.28 g/mol
Exact Mass169.07
IUPAC Name—
SMILESC=C.C=COC(C)=O.C=C[Si]
InChIInChI=1S/C4H6O2.C2H3Si.C2H4/c1-3-6-4(2)5;1-2-3;1-2/h3H,1H2,2H3;2H,1H2;1-2H2
InChIKeyPJNPJNBUIKDIPW-UHFFFAOYSA-N
XLogP1.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.28
LogP ≤ 51.79
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22321303?
The IUPAC name of CID 22321303 (CID 22321303) is not available.
What is the SMILES notation for CID 22321303?
The canonical SMILES for CID 22321303 is C=C.C=COC(C)=O.C=C[Si].
What is the InChIKey of CID 22321303?
The InChIKey is PJNPJNBUIKDIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H3Si.C2H4/c1-3-6-4(2)5;1-2-3;1-2/h3H,1H2,2H3;2H,1H2;1-2H2.
What are the key properties of CID 22321303?
CID 22321303 has a molecular weight of 169.28 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22321303 is sourced from PubChem (CID 22321303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).