CID 57259853

C7H13O4Si — CID 57259853

IUPAC—
SMILESC=CC(O[Si])C(OC)(OC)OC
InChIInChI=1S/C7H13O4Si/c1-5-6(11-12)7(8-2,9-3)10-4/h5-6H,1H2,2-4H3
InChIKeyHTSWSORVKUWTIZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.23
Rot. Bonds6

About CID 57259853

CID 57259853 (PubChem CID 57259853) has the molecular formula C7H13O4Si and a molecular weight of 189.26 g/mol.

Molecular Properties

Compound NameCID 57259853
PubChem CID57259853
Molecular FormulaC7H13O4Si
Molecular Weight189.26 g/mol
Exact Mass189.06
IUPAC Name—
SMILESC=CC(O[Si])C(OC)(OC)OC
InChIInChI=1S/C7H13O4Si/c1-5-6(11-12)7(8-2,9-3)10-4/h5-6H,1H2,2-4H3
InChIKeyHTSWSORVKUWTIZ-UHFFFAOYSA-N
XLogP0.23
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.23
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 57259853?
The IUPAC name of CID 57259853 (CID 57259853) is not available.
What is the SMILES notation for CID 57259853?
The canonical SMILES for CID 57259853 is C=CC(O[Si])C(OC)(OC)OC.
What is the InChIKey of CID 57259853?
The InChIKey is HTSWSORVKUWTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O4Si/c1-5-6(11-12)7(8-2,9-3)10-4/h5-6H,1H2,2-4H3.
What are the key properties of CID 57259853?
CID 57259853 has a molecular weight of 189.26 g/mol, XLogP of 0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57259853 is sourced from PubChem (CID 57259853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).