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

C25H41F5OSi — CID 620464

IUPACheptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCCCCCCCCCCCCCCCCO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C25H41F5OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-32(2,3)25-23(29)21(27)20(26)22(28)24(25)30/h4-19H2,1-3H3
InChIKeySDXGBLINJCJFRP-UHFFFAOYSA-N
MW480.68 g/mol
LogP8.68
Rot. Bonds18

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

heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (PubChem CID 620464) has the molecular formula C25H41F5OSi and a molecular weight of 480.68 g/mol. Its IUPAC name is heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.

Molecular Properties

Compound Nameheptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
PubChem CID620464
Molecular FormulaC25H41F5OSi
Molecular Weight480.68 g/mol
Exact Mass480.28
IUPAC Nameheptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane
SMILESCCCCCCCCCCCCCCCCCO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C25H41F5OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-32(2,3)25-23(29)21(27)20(26)22(28)24(25)30/h4-19H2,1-3H3
InChIKeySDXGBLINJCJFRP-UHFFFAOYSA-N
XLogP8.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.68
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze heptadecoxy-dimethyl-(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 heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The IUPAC name of heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane (CID 620464) is heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane.
What is the SMILES notation for heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The canonical SMILES for heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is CCCCCCCCCCCCCCCCCO[Si](C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
The InChIKey is SDXGBLINJCJFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41F5OSi/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-32(2,3)25-23(29)21(27)20(26)22(28)24(25)30/h4-19H2,1-3H3.
What are the key properties of heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane?
heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane has a molecular weight of 480.68 g/mol, XLogP of 8.68, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecoxy-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane is sourced from PubChem (CID 620464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).