dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane

C9H17F3OSi — CID 14993021

IUPACdimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane
SMILESC=CCCC[Si](C)(C)OCC(F)(F)F
InChIInChI=1S/C9H17F3OSi/c1-4-5-6-7-14(2,3)13-8-9(10,11)12/h4H,1,5-8H2,2-3H3
InChIKeyFMGWXDDABMUBDQ-UHFFFAOYSA-N
MW226.31 g/mol
LogP3.74
Rot. Bonds6

About dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane

dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane (PubChem CID 14993021) has the molecular formula C9H17F3OSi and a molecular weight of 226.31 g/mol. Its IUPAC name is dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane.

Molecular Properties

Compound Namedimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane
PubChem CID14993021
Molecular FormulaC9H17F3OSi
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Namedimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane
SMILESC=CCCC[Si](C)(C)OCC(F)(F)F
InChIInChI=1S/C9H17F3OSi/c1-4-5-6-7-14(2,3)13-8-9(10,11)12/h4H,1,5-8H2,2-3H3
InChIKeyFMGWXDDABMUBDQ-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 53.74
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane?
The IUPAC name of dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane (CID 14993021) is dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane.
What is the SMILES notation for dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane?
The canonical SMILES for dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane is C=CCCC[Si](C)(C)OCC(F)(F)F.
What is the InChIKey of dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane?
The InChIKey is FMGWXDDABMUBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OSi/c1-4-5-6-7-14(2,3)13-8-9(10,11)12/h4H,1,5-8H2,2-3H3.
What are the key properties of dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane?
dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane has a molecular weight of 226.31 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-pent-4-enyl-(2,2,2-trifluoroethoxy)silane is sourced from PubChem (CID 14993021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).