2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane

C11H19F3OSi — CID 67676293

IUPAC2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane
SMILESC=CC[Si]1(CCC(F)C(F)F)CCCCO1
InChIInChI=1S/C11H19F3OSi/c1-2-7-16(8-4-3-6-15-16)9-5-10(12)11(13)14/h2,10-11H,1,3-9H2
InChIKeyBGKVIOQWNIYAKX-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.92
Rot. Bonds6

About 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane

2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane (PubChem CID 67676293) has the molecular formula C11H19F3OSi and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane.

Molecular Properties

Compound Name2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane
PubChem CID67676293
Molecular FormulaC11H19F3OSi
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane
SMILESC=CC[Si]1(CCC(F)C(F)F)CCCCO1
InChIInChI=1S/C11H19F3OSi/c1-2-7-16(8-4-3-6-15-16)9-5-10(12)11(13)14/h2,10-11H,1,3-9H2
InChIKeyBGKVIOQWNIYAKX-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane?
The IUPAC name of 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane (CID 67676293) is 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane.
What is the SMILES notation for 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane?
The canonical SMILES for 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane is C=CC[Si]1(CCC(F)C(F)F)CCCCO1.
What is the InChIKey of 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane?
The InChIKey is BGKVIOQWNIYAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3OSi/c1-2-7-16(8-4-3-6-15-16)9-5-10(12)11(13)14/h2,10-11H,1,3-9H2.
What are the key properties of 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane?
2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane has a molecular weight of 252.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-(3,4,4-trifluorobutyl)oxasilinane is sourced from PubChem (CID 67676293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).