CID 90174356

C19H28F3O3Si — CID 90174356

IUPAC—
SMILESCC(C)OC(CCCCCc1cccc(C(F)(F)F)c1)(O[Si])OC(C)C
InChIInChI=1S/C19H28F3O3Si/c1-14(2)23-18(25-26,24-15(3)4)12-7-5-6-9-16-10-8-11-17(13-16)19(20,21)22/h8,10-11,13-15H,5-7,9,12H2,1-4H3
InChIKeyWITOEVJCFJTRKM-UHFFFAOYSA-N
MW389.51 g/mol
LogP5.41
Rot. Bonds11

About CID 90174356

CID 90174356 (PubChem CID 90174356) has the molecular formula C19H28F3O3Si and a molecular weight of 389.51 g/mol.

Molecular Properties

Compound NameCID 90174356
PubChem CID90174356
Molecular FormulaC19H28F3O3Si
Molecular Weight389.51 g/mol
Exact Mass389.18
IUPAC Name—
SMILESCC(C)OC(CCCCCc1cccc(C(F)(F)F)c1)(O[Si])OC(C)C
InChIInChI=1S/C19H28F3O3Si/c1-14(2)23-18(25-26,24-15(3)4)12-7-5-6-9-16-10-8-11-17(13-16)19(20,21)22/h8,10-11,13-15H,5-7,9,12H2,1-4H3
InChIKeyWITOEVJCFJTRKM-UHFFFAOYSA-N
XLogP5.41
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.51
LogP ≤ 55.41
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 90172123
CID 90172123
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
CID 90174130
CID 90174130
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene
CID 177308905
CID 90171829
CID 90171829
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
CID 90171032
CID 90171032
1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene
CID 141200659
N-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 55134831

Frequently Asked Questions

What is the IUPAC name of CID 90174356?
The IUPAC name of CID 90174356 (CID 90174356) is not available.
What is the SMILES notation for CID 90174356?
The canonical SMILES for CID 90174356 is CC(C)OC(CCCCCc1cccc(C(F)(F)F)c1)(O[Si])OC(C)C.
What is the InChIKey of CID 90174356?
The InChIKey is WITOEVJCFJTRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3O3Si/c1-14(2)23-18(25-26,24-15(3)4)12-7-5-6-9-16-10-8-11-17(13-16)19(20,21)22/h8,10-11,13-15H,5-7,9,12H2,1-4H3.
What are the key properties of CID 90174356?
CID 90174356 has a molecular weight of 389.51 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90174356 is sourced from PubChem (CID 90174356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).