CID 54089885

C4H9O2Si — CID 54089885

IUPAC—
SMILESCCCCO[Si]=O
InChIInChI=1S/C4H9O2Si/c1-2-3-4-6-7-5/h2-4H2,1H3
InChIKeyMTCFKZKFKXIRNL-UHFFFAOYSA-N
MW117.20 g/mol
LogP0.77
Rot. Bonds4

About CID 54089885

CID 54089885 (PubChem CID 54089885) has the molecular formula C4H9O2Si and a molecular weight of 117.20 g/mol.

Molecular Properties

Compound NameCID 54089885
PubChem CID54089885
Molecular FormulaC4H9O2Si
Molecular Weight117.20 g/mol
Exact Mass117.04
IUPAC Name—
SMILESCCCCO[Si]=O
InChIInChI=1S/C4H9O2Si/c1-2-3-4-6-7-5/h2-4H2,1H3
InChIKeyMTCFKZKFKXIRNL-UHFFFAOYSA-N
XLogP0.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.20
LogP ≤ 50.77
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 54089885?
The IUPAC name of CID 54089885 (CID 54089885) is not available.
What is the SMILES notation for CID 54089885?
The canonical SMILES for CID 54089885 is CCCCO[Si]=O.
What is the InChIKey of CID 54089885?
The InChIKey is MTCFKZKFKXIRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O2Si/c1-2-3-4-6-7-5/h2-4H2,1H3.
What are the key properties of CID 54089885?
CID 54089885 has a molecular weight of 117.20 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54089885 is sourced from PubChem (CID 54089885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).