CID 22242111

C12H27O2Si — CID 22242111

IUPAC—
SMILESCC(C)C[Si](OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H27O2Si/c1-10(2)9-15(13-11(3,4)5)14-12(6,7)8/h10H,9H2,1-8H3
InChIKeyVXIJYURQZZDDEV-UHFFFAOYSA-N
MW231.43 g/mol
LogP3.76
Rot. Bonds4

About CID 22242111

CID 22242111 (PubChem CID 22242111) has the molecular formula C12H27O2Si and a molecular weight of 231.43 g/mol.

Molecular Properties

Compound NameCID 22242111
PubChem CID22242111
Molecular FormulaC12H27O2Si
Molecular Weight231.43 g/mol
Exact Mass231.18
IUPAC Name—
SMILESCC(C)C[Si](OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C12H27O2Si/c1-10(2)9-15(13-11(3,4)5)14-12(6,7)8/h10H,9H2,1-8H3
InChIKeyVXIJYURQZZDDEV-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 22242111?
The IUPAC name of CID 22242111 (CID 22242111) is not available.
What is the SMILES notation for CID 22242111?
The canonical SMILES for CID 22242111 is CC(C)C[Si](OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of CID 22242111?
The InChIKey is VXIJYURQZZDDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2Si/c1-10(2)9-15(13-11(3,4)5)14-12(6,7)8/h10H,9H2,1-8H3.
What are the key properties of CID 22242111?
CID 22242111 has a molecular weight of 231.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22242111 is sourced from PubChem (CID 22242111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).