CID 136870269

C13H27BClSi — CID 136870269

IUPAC—
SMILESCCCC/C(=C(\CC)B(CC)CC)[Si](C)Cl
InChIInChI=1S/C13H27BClSi/c1-6-10-11-13(16(5)15)12(7-2)14(8-3)9-4/h6-11H2,1-5H3/b13-12-
InChIKeyHKNDGFXNDYRLBB-SEYXRHQNSA-N
MW257.71 g/mol
LogP5.36
Rot. Bonds8

About CID 136870269

CID 136870269 (PubChem CID 136870269) has the molecular formula C13H27BClSi and a molecular weight of 257.71 g/mol.

Molecular Properties

Compound NameCID 136870269
PubChem CID136870269
Molecular FormulaC13H27BClSi
Molecular Weight257.71 g/mol
Exact Mass257.17
IUPAC Name—
SMILESCCCC/C(=C(\CC)B(CC)CC)[Si](C)Cl
InChIInChI=1S/C13H27BClSi/c1-6-10-11-13(16(5)15)12(7-2)14(8-3)9-4/h6-11H2,1-5H3/b13-12-
InChIKeyHKNDGFXNDYRLBB-SEYXRHQNSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.71
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 136870269?
The IUPAC name of CID 136870269 (CID 136870269) is not available.
What is the SMILES notation for CID 136870269?
The canonical SMILES for CID 136870269 is CCCC/C(=C(\CC)B(CC)CC)[Si](C)Cl.
What is the InChIKey of CID 136870269?
The InChIKey is HKNDGFXNDYRLBB-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H27BClSi/c1-6-10-11-13(16(5)15)12(7-2)14(8-3)9-4/h6-11H2,1-5H3/b13-12-.
What are the key properties of CID 136870269?
CID 136870269 has a molecular weight of 257.71 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136870269 is sourced from PubChem (CID 136870269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).