CID 22294531

C12H25Cl2OSi — CID 22294531

IUPAC—
SMILESCCCCCCCCC(O[Si](C)C)C(Cl)Cl
InChIInChI=1S/C12H25Cl2OSi/c1-4-5-6-7-8-9-10-11(12(13)14)15-16(2)3/h11-12H,4-10H2,1-3H3
InChIKeyMRQOAGXTSQXVQS-UHFFFAOYSA-N
MW284.32 g/mol
LogP5.18
Rot. Bonds10

About CID 22294531

CID 22294531 (PubChem CID 22294531) has the molecular formula C12H25Cl2OSi and a molecular weight of 284.32 g/mol.

Molecular Properties

Compound NameCID 22294531
PubChem CID22294531
Molecular FormulaC12H25Cl2OSi
Molecular Weight284.32 g/mol
Exact Mass283.11
IUPAC Name—
SMILESCCCCCCCCC(O[Si](C)C)C(Cl)Cl
InChIInChI=1S/C12H25Cl2OSi/c1-4-5-6-7-8-9-10-11(12(13)14)15-16(2)3/h11-12H,4-10H2,1-3H3
InChIKeyMRQOAGXTSQXVQS-UHFFFAOYSA-N
XLogP5.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.32
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 22294531?
The IUPAC name of CID 22294531 (CID 22294531) is not available.
What is the SMILES notation for CID 22294531?
The canonical SMILES for CID 22294531 is CCCCCCCCC(O[Si](C)C)C(Cl)Cl.
What is the InChIKey of CID 22294531?
The InChIKey is MRQOAGXTSQXVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25Cl2OSi/c1-4-5-6-7-8-9-10-11(12(13)14)15-16(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of CID 22294531?
CID 22294531 has a molecular weight of 284.32 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22294531 is sourced from PubChem (CID 22294531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).