CID 59888225

C19H31F3OSi — CID 59888225

IUPAC—
SMILESC/C=C/CCC1CCC(C[Si]C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H31F3OSi/c1-2-3-4-5-15-6-8-16(9-7-15)14-24-18-12-10-17(11-13-18)23-19(20,21)22/h2-3,15-18H,4-14H2,1H3/b3-2+
InChIKeyNTOXNINSUHVZKL-NSCUHMNNSA-N
MW360.54 g/mol
LogP6.54
Rot. Bonds7

About CID 59888225

CID 59888225 (PubChem CID 59888225) has the molecular formula C19H31F3OSi and a molecular weight of 360.54 g/mol.

Molecular Properties

Compound NameCID 59888225
PubChem CID59888225
Molecular FormulaC19H31F3OSi
Molecular Weight360.54 g/mol
Exact Mass360.21
IUPAC Name—
SMILESC/C=C/CCC1CCC(C[Si]C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H31F3OSi/c1-2-3-4-5-15-6-8-16(9-7-15)14-24-18-12-10-17(11-13-18)23-19(20,21)22/h2-3,15-18H,4-14H2,1H3/b3-2+
InChIKeyNTOXNINSUHVZKL-NSCUHMNNSA-N
XLogP6.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.54
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59888225?
The IUPAC name of CID 59888225 (CID 59888225) is not available.
What is the SMILES notation for CID 59888225?
The canonical SMILES for CID 59888225 is C/C=C/CCC1CCC(C[Si]C2CCC(OC(F)(F)F)CC2)CC1.
What is the InChIKey of CID 59888225?
The InChIKey is NTOXNINSUHVZKL-NSCUHMNNSA-N. The full InChI is InChI=1S/C19H31F3OSi/c1-2-3-4-5-15-6-8-16(9-7-15)14-24-18-12-10-17(11-13-18)23-19(20,21)22/h2-3,15-18H,4-14H2,1H3/b3-2+.
What are the key properties of CID 59888225?
CID 59888225 has a molecular weight of 360.54 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59888225 is sourced from PubChem (CID 59888225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).