CID 18966772

C10H18O2Si — CID 18966772

IUPAC—
SMILESCC(C)=C(C)C(=O)O[Si]C(C)(C)C
InChIInChI=1S/C10H18O2Si/c1-7(2)8(3)9(11)12-13-10(4,5)6/h1-6H3
InChIKeyLJYWJHXCFGPLOB-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.72
Rot. Bonds2

About CID 18966772

CID 18966772 (PubChem CID 18966772) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol.

Molecular Properties

Compound NameCID 18966772
PubChem CID18966772
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Name—
SMILESCC(C)=C(C)C(=O)O[Si]C(C)(C)C
InChIInChI=1S/C10H18O2Si/c1-7(2)8(3)9(11)12-13-10(4,5)6/h1-6H3
InChIKeyLJYWJHXCFGPLOB-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 18966772?
The IUPAC name of CID 18966772 (CID 18966772) is not available.
What is the SMILES notation for CID 18966772?
The canonical SMILES for CID 18966772 is CC(C)=C(C)C(=O)O[Si]C(C)(C)C.
What is the InChIKey of CID 18966772?
The InChIKey is LJYWJHXCFGPLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-7(2)8(3)9(11)12-13-10(4,5)6/h1-6H3.
What are the key properties of CID 18966772?
CID 18966772 has a molecular weight of 198.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18966772 is sourced from PubChem (CID 18966772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).