CID 54285836

C5H12O2Si — CID 54285836

IUPAC—
SMILESCCCCO[Si]OC
InChIInChI=1S/C5H12O2Si/c1-3-4-5-7-8-6-2/h3-5H2,1-2H3
InChIKeyONXRDTWOSYSFQO-UHFFFAOYSA-N
MW132.24 g/mol
LogP0.98
Rot. Bonds5

About CID 54285836

CID 54285836 (PubChem CID 54285836) has the molecular formula C5H12O2Si and a molecular weight of 132.24 g/mol.

Molecular Properties

Compound NameCID 54285836
PubChem CID54285836
Molecular FormulaC5H12O2Si
Molecular Weight132.24 g/mol
Exact Mass132.06
IUPAC Name—
SMILESCCCCO[Si]OC
InChIInChI=1S/C5H12O2Si/c1-3-4-5-7-8-6-2/h3-5H2,1-2H3
InChIKeyONXRDTWOSYSFQO-UHFFFAOYSA-N
XLogP0.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.24
LogP ≤ 50.98
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 54285836?
The IUPAC name of CID 54285836 (CID 54285836) is not available.
What is the SMILES notation for CID 54285836?
The canonical SMILES for CID 54285836 is CCCCO[Si]OC.
What is the InChIKey of CID 54285836?
The InChIKey is ONXRDTWOSYSFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O2Si/c1-3-4-5-7-8-6-2/h3-5H2,1-2H3.
What are the key properties of CID 54285836?
CID 54285836 has a molecular weight of 132.24 g/mol, XLogP of 0.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54285836 is sourced from PubChem (CID 54285836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).