2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane

C11H19F3OSi — CID 173185095

IUPAC2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane
SMILESC=C(C(C)CCC(F)(F)F)[SiH]1CCCCO1
InChIInChI=1S/C11H19F3OSi/c1-9(5-6-11(12,13)14)10(2)16-8-4-3-7-15-16/h9,16H,2-8H2,1H3
InChIKeyLTGKMTAILOZJCE-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.59
Rot. Bonds4

About 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane

2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane (PubChem CID 173185095) has the molecular formula C11H19F3OSi and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane.

Molecular Properties

Compound Name2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane
PubChem CID173185095
Molecular FormulaC11H19F3OSi
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane
SMILESC=C(C(C)CCC(F)(F)F)[SiH]1CCCCO1
InChIInChI=1S/C11H19F3OSi/c1-9(5-6-11(12,13)14)10(2)16-8-4-3-7-15-16/h9,16H,2-8H2,1H3
InChIKeyLTGKMTAILOZJCE-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane?
The IUPAC name of 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane (CID 173185095) is 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane.
What is the SMILES notation for 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane?
The canonical SMILES for 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane is C=C(C(C)CCC(F)(F)F)[SiH]1CCCCO1.
What is the InChIKey of 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane?
The InChIKey is LTGKMTAILOZJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3OSi/c1-9(5-6-11(12,13)14)10(2)16-8-4-3-7-15-16/h9,16H,2-8H2,1H3.
What are the key properties of 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane?
2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane has a molecular weight of 252.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6,6-trifluoro-3-methylhex-1-en-2-yl)oxasilinane is sourced from PubChem (CID 173185095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).