CID 90172853

C15H24FO3Si — CID 90172853

IUPAC—
SMILESCO[Si](OC)OC(C)CCCCCc1cccc(F)c1
InChIInChI=1S/C15H24FO3Si/c1-13(19-20(17-2)18-3)8-5-4-6-9-14-10-7-11-15(16)12-14/h7,10-13H,4-6,8-9H2,1-3H3
InChIKeySDGJYHJKKXAMKE-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.61
Rot. Bonds10

About CID 90172853

CID 90172853 (PubChem CID 90172853) has the molecular formula C15H24FO3Si and a molecular weight of 299.44 g/mol.

Molecular Properties

Compound NameCID 90172853
PubChem CID90172853
Molecular FormulaC15H24FO3Si
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name—
SMILESCO[Si](OC)OC(C)CCCCCc1cccc(F)c1
InChIInChI=1S/C15H24FO3Si/c1-13(19-20(17-2)18-3)8-5-4-6-9-14-10-7-11-15(16)12-14/h7,10-13H,4-6,8-9H2,1-3H3
InChIKeySDGJYHJKKXAMKE-UHFFFAOYSA-N
XLogP3.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 90172853?
The IUPAC name of CID 90172853 (CID 90172853) is not available.
What is the SMILES notation for CID 90172853?
The canonical SMILES for CID 90172853 is CO[Si](OC)OC(C)CCCCCc1cccc(F)c1.
What is the InChIKey of CID 90172853?
The InChIKey is SDGJYHJKKXAMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FO3Si/c1-13(19-20(17-2)18-3)8-5-4-6-9-14-10-7-11-15(16)12-14/h7,10-13H,4-6,8-9H2,1-3H3.
What are the key properties of CID 90172853?
CID 90172853 has a molecular weight of 299.44 g/mol, XLogP of 3.61, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90172853 is sourced from PubChem (CID 90172853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).