CID 21266980

C6H13O3Si — CID 21266980

IUPAC—
SMILESCC(=O)O[Si](C)OC(C)C
InChIInChI=1S/C6H13O3Si/c1-5(2)8-10(4)9-6(3)7/h5H,1-4H3
InChIKeyFFWHUHJHKFBIGG-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.09
Rot. Bonds3

About CID 21266980

CID 21266980 (PubChem CID 21266980) has the molecular formula C6H13O3Si and a molecular weight of 161.25 g/mol.

Molecular Properties

Compound NameCID 21266980
PubChem CID21266980
Molecular FormulaC6H13O3Si
Molecular Weight161.25 g/mol
Exact Mass161.06
IUPAC Name—
SMILESCC(=O)O[Si](C)OC(C)C
InChIInChI=1S/C6H13O3Si/c1-5(2)8-10(4)9-6(3)7/h5H,1-4H3
InChIKeyFFWHUHJHKFBIGG-UHFFFAOYSA-N
XLogP1.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 21266980?
The IUPAC name of CID 21266980 (CID 21266980) is not available.
What is the SMILES notation for CID 21266980?
The canonical SMILES for CID 21266980 is CC(=O)O[Si](C)OC(C)C.
What is the InChIKey of CID 21266980?
The InChIKey is FFWHUHJHKFBIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3Si/c1-5(2)8-10(4)9-6(3)7/h5H,1-4H3.
What are the key properties of CID 21266980?
CID 21266980 has a molecular weight of 161.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 21266980 is sourced from PubChem (CID 21266980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).