4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane

C15H29F3OSi — CID 20726307

IUPAC4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(CCCCOC1CCCCC1)CCC(F)(F)F
InChIInChI=1S/C15H29F3OSi/c1-20(2,13-10-15(16,17)18)12-7-6-11-19-14-8-4-3-5-9-14/h14H,3-13H2,1-2H3
InChIKeyQWXFNKUFJUYIEZ-UHFFFAOYSA-N
MW310.48 g/mol
LogP5.78
Rot. Bonds8

About 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane

4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane (PubChem CID 20726307) has the molecular formula C15H29F3OSi and a molecular weight of 310.48 g/mol. Its IUPAC name is 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Name4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane
PubChem CID20726307
Molecular FormulaC15H29F3OSi
Molecular Weight310.48 g/mol
Exact Mass310.19
IUPAC Name4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(CCCCOC1CCCCC1)CCC(F)(F)F
InChIInChI=1S/C15H29F3OSi/c1-20(2,13-10-15(16,17)18)12-7-6-11-19-14-8-4-3-5-9-14/h14H,3-13H2,1-2H3
InChIKeyQWXFNKUFJUYIEZ-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

tert-butyl-dimethyl-[(2R,6S)-2,4,6-trifluorocyclohexyl]oxysilane
CID 161233321
1,1-Dimethyl-3-(2,2,2-trifluoroethoxy)silinane
CID 14993025
Cyclohexyl 2,2-difluoro-2-trimethylsilylacetate
CID 101568451
4-Cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane
CID 20726306
1,1-Difluoro-2-propan-2-yloxycyclohexane
CID 58303690
1-(1,1-Difluorobutoxy)-4-fluorocyclohexane
CID 58725487
Dimethyl-propyl-[2-(trifluoromethyl)oxan-2-yl]silane
CID 69191346
Trimethyl-[2-(3,3,3-trifluoropropyl)oxan-2-yl]silane
CID 69887080
3,4,4-Trifluoropentoxycyclohexane
CID 89669265
1,1-Difluoro-4-propan-2-yloxycyclohexane
CID 121261743
(2-Methyloxan-2-yl)-(3,3,3-trifluoropropyl)silane
CID 123611137
2,2-Difluoropropoxycyclohexane
CID 123888457

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane?
The IUPAC name of 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane (CID 20726307) is 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane is C[Si](C)(CCCCOC1CCCCC1)CCC(F)(F)F.
What is the InChIKey of 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is QWXFNKUFJUYIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3OSi/c1-20(2,13-10-15(16,17)18)12-7-6-11-19-14-8-4-3-5-9-14/h14H,3-13H2,1-2H3.
What are the key properties of 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane?
4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 310.48 g/mol, XLogP of 5.78, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 20726307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).