CID 53436906

C8H16O4Si — CID 53436906

IUPAC—
SMILESCOC(=O)C(C)C[Si]C(OC)OC
InChIInChI=1S/C8H16O4Si/c1-6(7(9)10-2)5-13-8(11-3)12-4/h6,8H,5H2,1-4H3
InChIKeyDMFUTSXHXAZUQZ-UHFFFAOYSA-N
MW204.30 g/mol
LogP0.49
Rot. Bonds6

About CID 53436906

CID 53436906 (PubChem CID 53436906) has the molecular formula C8H16O4Si and a molecular weight of 204.30 g/mol.

Molecular Properties

Compound NameCID 53436906
PubChem CID53436906
Molecular FormulaC8H16O4Si
Molecular Weight204.30 g/mol
Exact Mass204.08
IUPAC Name—
SMILESCOC(=O)C(C)C[Si]C(OC)OC
InChIInChI=1S/C8H16O4Si/c1-6(7(9)10-2)5-13-8(11-3)12-4/h6,8H,5H2,1-4H3
InChIKeyDMFUTSXHXAZUQZ-UHFFFAOYSA-N
XLogP0.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 53436906?
The IUPAC name of CID 53436906 (CID 53436906) is not available.
What is the SMILES notation for CID 53436906?
The canonical SMILES for CID 53436906 is COC(=O)C(C)C[Si]C(OC)OC.
What is the InChIKey of CID 53436906?
The InChIKey is DMFUTSXHXAZUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4Si/c1-6(7(9)10-2)5-13-8(11-3)12-4/h6,8H,5H2,1-4H3.
What are the key properties of CID 53436906?
CID 53436906 has a molecular weight of 204.30 g/mol, XLogP of 0.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 53436906 is sourced from PubChem (CID 53436906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).