4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane

C15H25F3OSi — CID 20726306

IUPAC4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(C#CCCOC1CCCCC1)CCC(F)(F)F
InChIInChI=1S/C15H25F3OSi/c1-20(2,13-10-15(16,17)18)12-7-6-11-19-14-8-4-3-5-9-14/h14H,3-6,8-11,13H2,1-2H3
InChIKeyHUXALZFBCSXQLD-UHFFFAOYSA-N
MW306.44 g/mol
LogP4.93
Rot. Bonds5

About 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane

4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane (PubChem CID 20726306) has the molecular formula C15H25F3OSi and a molecular weight of 306.44 g/mol. Its IUPAC name is 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Name4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane
PubChem CID20726306
Molecular FormulaC15H25F3OSi
Molecular Weight306.44 g/mol
Exact Mass306.16
IUPAC Name4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(C#CCCOC1CCCCC1)CCC(F)(F)F
InChIInChI=1S/C15H25F3OSi/c1-20(2,13-10-15(16,17)18)12-7-6-11-19-14-8-4-3-5-9-14/h14H,3-6,8-11,13H2,1-2H3
InChIKeyHUXALZFBCSXQLD-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 54.93
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-Cyclohexyloxybutyl-dimethyl-(3,3,3-trifluoropropyl)silane
CID 20726307
Dimethyl-propyl-[2-(trifluoromethyl)oxan-2-yl]silane
CID 69191346
(2-Methyloxan-3-yl)-(3,3,3-trifluoropropyl)silane
CID 173315418
Trimethyl-[2-(oxan-2-yl)ethynyl]silane
CID 15370351

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane?
The IUPAC name of 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane (CID 20726306) is 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane is C[Si](C)(C#CCCOC1CCCCC1)CCC(F)(F)F.
What is the InChIKey of 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is HUXALZFBCSXQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3OSi/c1-20(2,13-10-15(16,17)18)12-7-6-11-19-14-8-4-3-5-9-14/h14H,3-6,8-11,13H2,1-2H3.
What are the key properties of 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane?
4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 306.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxybut-1-ynyl-dimethyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 20726306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).