CID 22483804

C8H15O3Si — CID 22483804

IUPAC—
SMILESCCOC([Si])=C(OCC)OCC
InChIInChI=1S/C8H15O3Si/c1-4-9-7(10-5-2)8(12)11-6-3/h4-6H2,1-3H3
InChIKeyPZTUPFDPYTYCIR-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.39
Rot. Bonds6

About CID 22483804

CID 22483804 (PubChem CID 22483804) has the molecular formula C8H15O3Si and a molecular weight of 187.29 g/mol.

Molecular Properties

Compound NameCID 22483804
PubChem CID22483804
Molecular FormulaC8H15O3Si
Molecular Weight187.29 g/mol
Exact Mass187.08
IUPAC Name—
SMILESCCOC([Si])=C(OCC)OCC
InChIInChI=1S/C8H15O3Si/c1-4-9-7(10-5-2)8(12)11-6-3/h4-6H2,1-3H3
InChIKeyPZTUPFDPYTYCIR-UHFFFAOYSA-N
XLogP1.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.39
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 22483804?
The IUPAC name of CID 22483804 (CID 22483804) is not available.
What is the SMILES notation for CID 22483804?
The canonical SMILES for CID 22483804 is CCOC([Si])=C(OCC)OCC.
What is the InChIKey of CID 22483804?
The InChIKey is PZTUPFDPYTYCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15O3Si/c1-4-9-7(10-5-2)8(12)11-6-3/h4-6H2,1-3H3.
What are the key properties of CID 22483804?
CID 22483804 has a molecular weight of 187.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22483804 is sourced from PubChem (CID 22483804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).