CID 90171309

C17H26F3O2Si — CID 90171309

IUPAC—
SMILESCCCO[Si](CCCCc1cccc(C(F)(F)F)c1)OCCC
InChIInChI=1S/C17H26F3O2Si/c1-3-11-21-23(22-12-4-2)13-6-5-8-15-9-7-10-16(14-15)17(18,19)20/h7,9-10,14H,3-6,8,11-13H2,1-2H3
InChIKeyJXIWLJRJZUIJFU-UHFFFAOYSA-N
MW347.47 g/mol
LogP5.37
Rot. Bonds11

About CID 90171309

CID 90171309 (PubChem CID 90171309) has the molecular formula C17H26F3O2Si and a molecular weight of 347.47 g/mol.

Molecular Properties

Compound NameCID 90171309
PubChem CID90171309
Molecular FormulaC17H26F3O2Si
Molecular Weight347.47 g/mol
Exact Mass347.17
IUPAC Name—
SMILESCCCO[Si](CCCCc1cccc(C(F)(F)F)c1)OCCC
InChIInChI=1S/C17H26F3O2Si/c1-3-11-21-23(22-12-4-2)13-6-5-8-15-9-7-10-16(14-15)17(18,19)20/h7,9-10,14H,3-6,8,11-13H2,1-2H3
InChIKeyJXIWLJRJZUIJFU-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.47
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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CID 90171032
CID 90171829
CID 90171829
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
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diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
3-[3-(trifluoromethyl)phenyl]propan-1-ol
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dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460
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CID 64513695
CID 140743991
CID 140743991
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CID 55134831
1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene
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2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
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Frequently Asked Questions

What is the IUPAC name of CID 90171309?
The IUPAC name of CID 90171309 (CID 90171309) is not available.
What is the SMILES notation for CID 90171309?
The canonical SMILES for CID 90171309 is CCCO[Si](CCCCc1cccc(C(F)(F)F)c1)OCCC.
What is the InChIKey of CID 90171309?
The InChIKey is JXIWLJRJZUIJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3O2Si/c1-3-11-21-23(22-12-4-2)13-6-5-8-15-9-7-10-16(14-15)17(18,19)20/h7,9-10,14H,3-6,8,11-13H2,1-2H3.
What are the key properties of CID 90171309?
CID 90171309 has a molecular weight of 347.47 g/mol, XLogP of 5.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90171309 is sourced from PubChem (CID 90171309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).