CID 13455471

C9H9Cl2OSi — CID 13455471

IUPAC—
SMILESC=CCc1ccccc1O[Si](Cl)Cl
InChIInChI=1S/C9H9Cl2OSi/c1-2-5-8-6-3-4-7-9(8)12-13(10)11/h2-4,6-7H,1,5H2
InChIKeyFNZLTCVBKRYJKI-UHFFFAOYSA-N
MW232.16 g/mol
LogP3.26
Rot. Bonds4

About CID 13455471

CID 13455471 (PubChem CID 13455471) has the molecular formula C9H9Cl2OSi and a molecular weight of 232.16 g/mol.

Molecular Properties

Compound NameCID 13455471
PubChem CID13455471
Molecular FormulaC9H9Cl2OSi
Molecular Weight232.16 g/mol
Exact Mass230.98
IUPAC Name—
SMILESC=CCc1ccccc1O[Si](Cl)Cl
InChIInChI=1S/C9H9Cl2OSi/c1-2-5-8-6-3-4-7-9(8)12-13(10)11/h2-4,6-7H,1,5H2
InChIKeyFNZLTCVBKRYJKI-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 15477926
CID 15477926
bis(2-prop-2-enylphenyl) hydrogen phosphate
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CID 14224427
2-(2-prop-2-enylphenoxy)ethanamine chloride
CID 21228786
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CID 70576307
1-bromo-2-[(2-prop-2-enylphenoxy)methyl]benzene
CID 91655599
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CID 87336505
bis[2,3-bis(prop-2-enyl)phenyl] (2-prop-2-enylphenyl) phosphite
CID 66971419

Frequently Asked Questions

What is the IUPAC name of CID 13455471?
The IUPAC name of CID 13455471 (CID 13455471) is not available.
What is the SMILES notation for CID 13455471?
The canonical SMILES for CID 13455471 is C=CCc1ccccc1O[Si](Cl)Cl.
What is the InChIKey of CID 13455471?
The InChIKey is FNZLTCVBKRYJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2OSi/c1-2-5-8-6-3-4-7-9(8)12-13(10)11/h2-4,6-7H,1,5H2.
What are the key properties of CID 13455471?
CID 13455471 has a molecular weight of 232.16 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13455471 is sourced from PubChem (CID 13455471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).