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

C16H23F5OSi — CID 91741456

IUPACdimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCCCC(C)(CC)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H23F5OSi/c1-6-8-9-16(3,7-2)22-23(4,5)15-13(20)11(18)10(17)12(19)14(15)21/h6-9H2,1-5H3
InChIKeyCAUSURDQFSEQOZ-UHFFFAOYSA-N
MW354.44 g/mol
LogP5.17
Rot. Bonds7

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

dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 91741456) has the molecular formula C16H23F5OSi and a molecular weight of 354.44 g/mol. Its IUPAC name is dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Namedimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID91741456
Molecular FormulaC16H23F5OSi
Molecular Weight354.44 g/mol
Exact Mass354.14
IUPAC Namedimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCCCC(C)(CC)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H23F5OSi/c1-6-8-9-16(3,7-2)22-23(4,5)15-13(20)11(18)10(17)12(19)14(15)21/h6-9H2,1-5H3
InChIKeyCAUSURDQFSEQOZ-UHFFFAOYSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.44
LogP ≤ 55.17
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'}

Analyze dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane (CID 91741456) is dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane is CCCCC(C)(CC)O[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is CAUSURDQFSEQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F5OSi/c1-6-8-9-16(3,7-2)22-23(4,5)15-13(20)11(18)10(17)12(19)14(15)21/h6-9H2,1-5H3.
What are the key properties of dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane?
dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 354.44 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(3-methylheptan-3-yloxy)-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 91741456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).