CID 22216004

C9H19OSi — CID 22216004

IUPAC—
SMILESC=CCOCC(C)(C)[Si](C)C
InChIInChI=1S/C9H19OSi/c1-6-7-10-8-9(2,3)11(4)5/h6H,1,7-8H2,2-5H3
InChIKeyFZNYSPHZENAGSK-UHFFFAOYSA-N
MW171.34 g/mol
LogP2.72
Rot. Bonds5

About CID 22216004

CID 22216004 (PubChem CID 22216004) has the molecular formula C9H19OSi and a molecular weight of 171.34 g/mol.

Molecular Properties

Compound NameCID 22216004
PubChem CID22216004
Molecular FormulaC9H19OSi
Molecular Weight171.34 g/mol
Exact Mass171.12
IUPAC Name—
SMILESC=CCOCC(C)(C)[Si](C)C
InChIInChI=1S/C9H19OSi/c1-6-7-10-8-9(2,3)11(4)5/h6H,1,7-8H2,2-5H3
InChIKeyFZNYSPHZENAGSK-UHFFFAOYSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.34
LogP ≤ 52.72
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 22216004?
The IUPAC name of CID 22216004 (CID 22216004) is not available.
What is the SMILES notation for CID 22216004?
The canonical SMILES for CID 22216004 is C=CCOCC(C)(C)[Si](C)C.
What is the InChIKey of CID 22216004?
The InChIKey is FZNYSPHZENAGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19OSi/c1-6-7-10-8-9(2,3)11(4)5/h6H,1,7-8H2,2-5H3.
What are the key properties of CID 22216004?
CID 22216004 has a molecular weight of 171.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22216004 is sourced from PubChem (CID 22216004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).