CID 164981926

C15H21O4Si — CID 164981926

IUPAC—
SMILESCO[Si](OC)c1ccc2c(c1)COC1(CCCCC1)O2
InChIInChI=1S/C15H21O4Si/c1-16-20(17-2)13-6-7-14-12(10-13)11-18-15(19-14)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyAUUGBPXLMBHOHP-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.24
Rot. Bonds3

About CID 164981926

CID 164981926 (PubChem CID 164981926) has the molecular formula C15H21O4Si and a molecular weight of 293.41 g/mol.

Molecular Properties

Compound NameCID 164981926
PubChem CID164981926
Molecular FormulaC15H21O4Si
Molecular Weight293.41 g/mol
Exact Mass293.12
IUPAC Name—
SMILESCO[Si](OC)c1ccc2c(c1)COC1(CCCCC1)O2
InChIInChI=1S/C15H21O4Si/c1-16-20(17-2)13-6-7-14-12(10-13)11-18-15(19-14)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyAUUGBPXLMBHOHP-UHFFFAOYSA-N
XLogP2.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 164981926?
The IUPAC name of CID 164981926 (CID 164981926) is not available.
What is the SMILES notation for CID 164981926?
The canonical SMILES for CID 164981926 is CO[Si](OC)c1ccc2c(c1)COC1(CCCCC1)O2.
What is the InChIKey of CID 164981926?
The InChIKey is AUUGBPXLMBHOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O4Si/c1-16-20(17-2)13-6-7-14-12(10-13)11-18-15(19-14)8-4-3-5-9-15/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of CID 164981926?
CID 164981926 has a molecular weight of 293.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164981926 is sourced from PubChem (CID 164981926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).