CID 22242113

C12H27O2Si — CID 22242113

IUPAC—
SMILESCCC(C)O[Si](CC(C)C)OC(C)CC
InChIInChI=1S/C12H27O2Si/c1-7-11(5)13-15(9-10(3)4)14-12(6)8-2/h10-12H,7-9H2,1-6H3
InChIKeyLUMNAFSVIKLCKK-UHFFFAOYSA-N
MW231.43 g/mol
LogP3.76
Rot. Bonds8

About CID 22242113

CID 22242113 (PubChem CID 22242113) has the molecular formula C12H27O2Si and a molecular weight of 231.43 g/mol.

Molecular Properties

Compound NameCID 22242113
PubChem CID22242113
Molecular FormulaC12H27O2Si
Molecular Weight231.43 g/mol
Exact Mass231.18
IUPAC Name—
SMILESCCC(C)O[Si](CC(C)C)OC(C)CC
InChIInChI=1S/C12H27O2Si/c1-7-11(5)13-15(9-10(3)4)14-12(6)8-2/h10-12H,7-9H2,1-6H3
InChIKeyLUMNAFSVIKLCKK-UHFFFAOYSA-N
XLogP3.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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 22242113?
The IUPAC name of CID 22242113 (CID 22242113) is not available.
What is the SMILES notation for CID 22242113?
The canonical SMILES for CID 22242113 is CCC(C)O[Si](CC(C)C)OC(C)CC.
What is the InChIKey of CID 22242113?
The InChIKey is LUMNAFSVIKLCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O2Si/c1-7-11(5)13-15(9-10(3)4)14-12(6)8-2/h10-12H,7-9H2,1-6H3.
What are the key properties of CID 22242113?
CID 22242113 has a molecular weight of 231.43 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22242113 is sourced from PubChem (CID 22242113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).