but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane

C9H17F3OSi — CID 161266892

IUPACbut-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane
SMILESCCC=CO[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C9H17F3OSi/c1-4-5-7-13-14(2,3)8-6-9(10,11)12/h5,7H,4,6,8H2,1-3H3
InChIKeyVDHNYPQOKKELDP-UHFFFAOYSA-N
MW226.31 g/mol
LogP4.08
Rot. Bonds5

About but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane

but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane (PubChem CID 161266892) has the molecular formula C9H17F3OSi and a molecular weight of 226.31 g/mol. Its IUPAC name is but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane.

Molecular Properties

Compound Namebut-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane
PubChem CID161266892
Molecular FormulaC9H17F3OSi
Molecular Weight226.31 g/mol
Exact Mass226.10
IUPAC Namebut-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane
SMILESCCC=CO[Si](C)(C)CCC(F)(F)F
InChIInChI=1S/C9H17F3OSi/c1-4-5-7-13-14(2,3)8-6-9(10,11)12/h5,7H,4,6,8H2,1-3H3
InChIKeyVDHNYPQOKKELDP-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane?
The IUPAC name of but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane (CID 161266892) is but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane.
What is the SMILES notation for but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane?
The canonical SMILES for but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane is CCC=CO[Si](C)(C)CCC(F)(F)F.
What is the InChIKey of but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane?
The InChIKey is VDHNYPQOKKELDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3OSi/c1-4-5-7-13-14(2,3)8-6-9(10,11)12/h5,7H,4,6,8H2,1-3H3.
What are the key properties of but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane?
but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane has a molecular weight of 226.31 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enoxy-dimethyl-(3,3,3-trifluoropropyl)silane is sourced from PubChem (CID 161266892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).