CID 22228973

C6H13OSi — CID 22228973

IUPAC—
SMILESC=CC(C)O[Si](C)C
InChIInChI=1S/C6H13OSi/c1-5-6(2)7-8(3)4/h5-6H,1H2,2-4H3
InChIKeySRQJIFNBTRJITF-UHFFFAOYSA-N
MW129.25 g/mol
LogP1.83
Rot. Bonds3

About CID 22228973

CID 22228973 (PubChem CID 22228973) has the molecular formula C6H13OSi and a molecular weight of 129.25 g/mol.

Molecular Properties

Compound NameCID 22228973
PubChem CID22228973
Molecular FormulaC6H13OSi
Molecular Weight129.25 g/mol
Exact Mass129.07
IUPAC Name—
SMILESC=CC(C)O[Si](C)C
InChIInChI=1S/C6H13OSi/c1-5-6(2)7-8(3)4/h5-6H,1H2,2-4H3
InChIKeySRQJIFNBTRJITF-UHFFFAOYSA-N
XLogP1.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 51.83
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'}

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Frequently Asked Questions

What is the IUPAC name of CID 22228973?
The IUPAC name of CID 22228973 (CID 22228973) is not available.
What is the SMILES notation for CID 22228973?
The canonical SMILES for CID 22228973 is C=CC(C)O[Si](C)C.
What is the InChIKey of CID 22228973?
The InChIKey is SRQJIFNBTRJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13OSi/c1-5-6(2)7-8(3)4/h5-6H,1H2,2-4H3.
What are the key properties of CID 22228973?
CID 22228973 has a molecular weight of 129.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22228973 is sourced from PubChem (CID 22228973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).