dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane

C14H23F3O2Si — CID 22717499

IUPACdimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(C#CCCOC1CCCCO1)CCC(F)(F)F
InChIInChI=1S/C14H23F3O2Si/c1-20(2,12-8-14(15,16)17)11-6-5-10-19-13-7-3-4-9-18-13/h13H,3-5,7-10,12H2,1-2H3
InChIKeyCFVOYNRKVBQUCZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.12
Rot. Bonds5

About dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane

dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane (PubChem CID 22717499) has the molecular formula C14H23F3O2Si and a molecular weight of 308.42 g/mol. Its IUPAC name is dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namedimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane
PubChem CID22717499
Molecular FormulaC14H23F3O2Si
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC Namedimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane
SMILESC[Si](C)(C#CCCOC1CCCCO1)CCC(F)(F)F
InChIInChI=1S/C14H23F3O2Si/c1-20(2,12-8-14(15,16)17)11-6-5-10-19-13-7-3-4-9-18-13/h13H,3-5,7-10,12H2,1-2H3
InChIKeyCFVOYNRKVBQUCZ-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.12
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl-[3-(oxan-2-yloxy)prop-1-ynyl]-(3,3,3-trifluoropropyl)silane
CID 22717494
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
CID 160655550
2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane
CID 150396378
2-[10-(oxan-2-yloxy)dec-5-ynoxy]oxane
CID 86101996
trimethyl-[4-(oxan-2-yloxy)butoxy]silane
CID 11218840
trimethyl-[13-(oxan-2-yloxy)tridecyl]silane
CID 86200856
2-heptadec-13-ynoxyoxane
CID 11099777
(2S)-2-tridec-6-ynoxyoxane
CID 124565996
2-hexadeca-6,12-diynoxyoxane
CID 163386043
2-(4,4-dimethylpentoxy)oxane
CID 59628221
2,2-difluoro-4-(oxan-2-yloxy)butanoic acid
CID 115034304

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The IUPAC name of dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane (CID 22717499) is dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane is C[Si](C)(C#CCCOC1CCCCO1)CCC(F)(F)F.
What is the InChIKey of dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane?
The InChIKey is CFVOYNRKVBQUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2Si/c1-20(2,12-8-14(15,16)17)11-6-5-10-19-13-7-3-4-9-18-13/h13H,3-5,7-10,12H2,1-2H3.
What are the key properties of dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane?
dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane has a molecular weight of 308.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-(oxan-2-yloxy)but-1-ynyl]-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 22717499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).