CID 164669017

C13H17ClSi — CID 164669017

IUPAC—
SMILESC=CC(CCCCCl)[Si]c1ccccc1
InChIInChI=1S/C13H17ClSi/c1-2-12(8-6-7-11-14)15-13-9-4-3-5-10-13/h2-5,9-10,12H,1,6-8,11H2
InChIKeyIPCKXJPKEAFHJQ-UHFFFAOYSA-N
MW236.82 g/mol
LogP3.40
Rot. Bonds7

About CID 164669017

CID 164669017 (PubChem CID 164669017) has the molecular formula C13H17ClSi and a molecular weight of 236.82 g/mol.

Molecular Properties

Compound NameCID 164669017
PubChem CID164669017
Molecular FormulaC13H17ClSi
Molecular Weight236.82 g/mol
Exact Mass236.08
IUPAC Name—
SMILESC=CC(CCCCCl)[Si]c1ccccc1
InChIInChI=1S/C13H17ClSi/c1-2-12(8-6-7-11-14)15-13-9-4-3-5-10-13/h2-5,9-10,12H,1,6-8,11H2
InChIKeyIPCKXJPKEAFHJQ-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.82
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164669017?
The IUPAC name of CID 164669017 (CID 164669017) is not available.
What is the SMILES notation for CID 164669017?
The canonical SMILES for CID 164669017 is C=CC(CCCCCl)[Si]c1ccccc1.
What is the InChIKey of CID 164669017?
The InChIKey is IPCKXJPKEAFHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClSi/c1-2-12(8-6-7-11-14)15-13-9-4-3-5-10-13/h2-5,9-10,12H,1,6-8,11H2.
What are the key properties of CID 164669017?
CID 164669017 has a molecular weight of 236.82 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164669017 is sourced from PubChem (CID 164669017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).