CID 59595765

C11H15O4Si — CID 59595765

IUPAC—
SMILESO=C1OCC2C3OC(CC3OCCC[Si])C12
InChIInChI=1S/C11H15O4Si/c12-11-9-6(5-14-11)10-8(4-7(9)15-10)13-2-1-3-16/h6-10H,1-5H2
InChIKeyZDCXFEUWGHVPRI-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.31
Rot. Bonds4

About CID 59595765

CID 59595765 (PubChem CID 59595765) has the molecular formula C11H15O4Si and a molecular weight of 239.32 g/mol.

Molecular Properties

Compound NameCID 59595765
PubChem CID59595765
Molecular FormulaC11H15O4Si
Molecular Weight239.32 g/mol
Exact Mass239.07
IUPAC Name—
SMILESO=C1OCC2C3OC(CC3OCCC[Si])C12
InChIInChI=1S/C11H15O4Si/c12-11-9-6(5-14-11)10-8(4-7(9)15-10)13-2-1-3-16/h6-10H,1-5H2
InChIKeyZDCXFEUWGHVPRI-UHFFFAOYSA-N
XLogP0.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 59595765?
The IUPAC name of CID 59595765 (CID 59595765) is not available.
What is the SMILES notation for CID 59595765?
The canonical SMILES for CID 59595765 is O=C1OCC2C3OC(CC3OCCC[Si])C12.
What is the InChIKey of CID 59595765?
The InChIKey is ZDCXFEUWGHVPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15O4Si/c12-11-9-6(5-14-11)10-8(4-7(9)15-10)13-2-1-3-16/h6-10H,1-5H2.
What are the key properties of CID 59595765?
CID 59595765 has a molecular weight of 239.32 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59595765 is sourced from PubChem (CID 59595765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).