CID 22950407

C9H12OSi — CID 22950407

IUPAC—
SMILESCO[Si]CCc1ccccc1
InChIInChI=1S/C9H12OSi/c1-10-11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyUYTXBBHZRVZFFY-UHFFFAOYSA-N
MW164.28 g/mol
LogP1.91
Rot. Bonds4

About CID 22950407

CID 22950407 (PubChem CID 22950407) has the molecular formula C9H12OSi and a molecular weight of 164.28 g/mol.

Molecular Properties

Compound NameCID 22950407
PubChem CID22950407
Molecular FormulaC9H12OSi
Molecular Weight164.28 g/mol
Exact Mass164.07
IUPAC Name—
SMILESCO[Si]CCc1ccccc1
InChIInChI=1S/C9H12OSi/c1-10-11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyUYTXBBHZRVZFFY-UHFFFAOYSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173109801
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Frequently Asked Questions

What is the IUPAC name of CID 22950407?
The IUPAC name of CID 22950407 (CID 22950407) is not available.
What is the SMILES notation for CID 22950407?
The canonical SMILES for CID 22950407 is CO[Si]CCc1ccccc1.
What is the InChIKey of CID 22950407?
The InChIKey is UYTXBBHZRVZFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OSi/c1-10-11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of CID 22950407?
CID 22950407 has a molecular weight of 164.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22950407 is sourced from PubChem (CID 22950407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).