2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane

C11H19F3OSi — CID 174327999

IUPAC2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane
SMILESC=C(C[SiH]1CCCCO1)C(C)CC(F)(F)F
InChIInChI=1S/C11H19F3OSi/c1-9(7-11(12,13)14)10(2)8-16-6-4-3-5-15-16/h9,16H,2-8H2,1H3
InChIKeySTPMKSVLBPLPIA-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.67
Rot. Bonds4

About 2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane

2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane (PubChem CID 174327999) has the molecular formula C11H19F3OSi and a molecular weight of 252.35 g/mol. Its IUPAC name is 2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane.

Molecular Properties

Compound Name2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane
PubChem CID174327999
Molecular FormulaC11H19F3OSi
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane
SMILESC=C(C[SiH]1CCCCO1)C(C)CC(F)(F)F
InChIInChI=1S/C11H19F3OSi/c1-9(7-11(12,13)14)10(2)8-16-6-4-3-5-15-16/h9,16H,2-8H2,1H3
InChIKeySTPMKSVLBPLPIA-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane?
The IUPAC name of 2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane (CID 174327999) is 2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane.
What is the SMILES notation for 2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane?
The canonical SMILES for 2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane is C=C(C[SiH]1CCCCO1)C(C)CC(F)(F)F.
What is the InChIKey of 2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane?
The InChIKey is STPMKSVLBPLPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3OSi/c1-9(7-11(12,13)14)10(2)8-16-6-4-3-5-15-16/h9,16H,2-8H2,1H3.
What are the key properties of 2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane?
2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane has a molecular weight of 252.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,5-trifluoro-3-methyl-2-methylidenepentyl)oxasilinane is sourced from PubChem (CID 174327999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).