CID 66888335

C15H26F3O2Si — CID 66888335

IUPAC—
SMILESCC1(O[Si](OC2(C)CCCCC2)C(F)(F)F)CCCCC1
InChIInChI=1S/C15H26F3O2Si/c1-13(9-5-3-6-10-13)19-21(15(16,17)18)20-14(2)11-7-4-8-12-14/h3-12H2,1-2H3
InChIKeyJNCZIJAMOYBJSS-UHFFFAOYSA-N
MW323.45 g/mol
LogP5.05
Rot. Bonds4

About CID 66888335

CID 66888335 (PubChem CID 66888335) has the molecular formula C15H26F3O2Si and a molecular weight of 323.45 g/mol.

Molecular Properties

Compound NameCID 66888335
PubChem CID66888335
Molecular FormulaC15H26F3O2Si
Molecular Weight323.45 g/mol
Exact Mass323.17
IUPAC Name—
SMILESCC1(O[Si](OC2(C)CCCCC2)C(F)(F)F)CCCCC1
InChIInChI=1S/C15H26F3O2Si/c1-13(9-5-3-6-10-13)19-21(15(16,17)18)20-14(2)11-7-4-8-12-14/h3-12H2,1-2H3
InChIKeyJNCZIJAMOYBJSS-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.45
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 66888335?
The IUPAC name of CID 66888335 (CID 66888335) is not available.
What is the SMILES notation for CID 66888335?
The canonical SMILES for CID 66888335 is CC1(O[Si](OC2(C)CCCCC2)C(F)(F)F)CCCCC1.
What is the InChIKey of CID 66888335?
The InChIKey is JNCZIJAMOYBJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3O2Si/c1-13(9-5-3-6-10-13)19-21(15(16,17)18)20-14(2)11-7-4-8-12-14/h3-12H2,1-2H3.
What are the key properties of CID 66888335?
CID 66888335 has a molecular weight of 323.45 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66888335 is sourced from PubChem (CID 66888335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).