2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

C15H21F5OSi — CID 91741482

IUPAC2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC(C)C(O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F)C(C)C
InChIInChI=1S/C15H21F5OSi/c1-7(2)14(8(3)4)21-22(5,6)15-12(19)10(17)9(16)11(18)13(15)20/h7-8,14H,1-6H3
InChIKeyYGDYVQRCZZPKQH-UHFFFAOYSA-N
MW340.41 g/mol
LogP4.49
Rot. Bonds5

About 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91741482) has the molecular formula C15H21F5OSi and a molecular weight of 340.41 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91741482
Molecular FormulaC15H21F5OSi
Molecular Weight340.41 g/mol
Exact Mass340.13
IUPAC Name2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCC(C)C(O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F)C(C)C
InChIInChI=1S/C15H21F5OSi/c1-7(2)14(8(3)4)21-22(5,6)15-12(19)10(17)9(16)11(18)13(15)20/h7-8,14H,1-6H3
InChIKeyYGDYVQRCZZPKQH-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 91741482) is 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is CC(C)C(O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is YGDYVQRCZZPKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F5OSi/c1-7(2)14(8(3)4)21-22(5,6)15-12(19)10(17)9(16)11(18)13(15)20/h7-8,14H,1-6H3.
What are the key properties of 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 340.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yloxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91741482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).