CID 54538570

C6H12O2Si — CID 54538570

IUPAC—
SMILESC=C[Si]OCCOCC
InChIInChI=1S/C6H12O2Si/c1-3-7-5-6-8-9-4-2/h4H,2-3,5-6H2,1H3
InChIKeyXJBSWGMLYHQARH-UHFFFAOYSA-N
MW144.25 g/mol
LogP0.80
Rot. Bonds6

About CID 54538570

CID 54538570 (PubChem CID 54538570) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol.

Molecular Properties

Compound NameCID 54538570
PubChem CID54538570
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name—
SMILESC=C[Si]OCCOCC
InChIInChI=1S/C6H12O2Si/c1-3-7-5-6-8-9-4-2/h4H,2-3,5-6H2,1H3
InChIKeyXJBSWGMLYHQARH-UHFFFAOYSA-N
XLogP0.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 54538570?
The IUPAC name of CID 54538570 (CID 54538570) is not available.
What is the SMILES notation for CID 54538570?
The canonical SMILES for CID 54538570 is C=C[Si]OCCOCC.
What is the InChIKey of CID 54538570?
The InChIKey is XJBSWGMLYHQARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-3-7-5-6-8-9-4-2/h4H,2-3,5-6H2,1H3.
What are the key properties of CID 54538570?
CID 54538570 has a molecular weight of 144.25 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54538570 is sourced from PubChem (CID 54538570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).