methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane

C14H21F3O2Si — CID 158190041

IUPACmethyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane
SMILESCC#CC(C)O[Si](C)(CCC(F)(F)F)OC(C)C#CC
InChIInChI=1S/C14H21F3O2Si/c1-6-8-12(3)18-20(5,11-10-14(15,16)17)19-13(4)9-7-2/h12-13H,10-11H2,1-5H3
InChIKeyFZQDPZXTKIEIHU-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.87
Rot. Bonds6

About methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane

methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane (PubChem CID 158190041) has the molecular formula C14H21F3O2Si and a molecular weight of 306.40 g/mol. Its IUPAC name is methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namemethyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane
PubChem CID158190041
Molecular FormulaC14H21F3O2Si
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Namemethyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane
SMILESCC#CC(C)O[Si](C)(CCC(F)(F)F)OC(C)C#CC
InChIInChI=1S/C14H21F3O2Si/c1-6-8-12(3)18-20(5,11-10-14(15,16)17)19-13(4)9-7-2/h12-13H,10-11H2,1-5H3
InChIKeyFZQDPZXTKIEIHU-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane?
The IUPAC name of methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane (CID 158190041) is methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane is CC#CC(C)O[Si](C)(CCC(F)(F)F)OC(C)C#CC.
What is the InChIKey of methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane?
The InChIKey is FZQDPZXTKIEIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3O2Si/c1-6-8-12(3)18-20(5,11-10-14(15,16)17)19-13(4)9-7-2/h12-13H,10-11H2,1-5H3.
What are the key properties of methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane?
methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane has a molecular weight of 306.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(pent-3-yn-2-yloxy)-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 158190041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).