3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane

C12H21F7OSi — CID 59112365

IUPAC3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane
SMILESCCC[Si](CCC)(CCC(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C12H21F7OSi/c1-4-7-21(20-3,8-5-2)9-6-10(13,14)11(15,16)12(17,18)19/h4-9H2,1-3H3
InChIKeyFMMBXEAKMXWKJY-UHFFFAOYSA-N
MW342.37 g/mol
LogP5.62
Rot. Bonds9

About 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane

3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane (PubChem CID 59112365) has the molecular formula C12H21F7OSi and a molecular weight of 342.37 g/mol. Its IUPAC name is 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane.

Molecular Properties

Compound Name3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane
PubChem CID59112365
Molecular FormulaC12H21F7OSi
Molecular Weight342.37 g/mol
Exact Mass342.12
IUPAC Name3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane
SMILESCCC[Si](CCC)(CCC(F)(F)C(F)(F)C(F)(F)F)OC
InChIInChI=1S/C12H21F7OSi/c1-4-7-21(20-3,8-5-2)9-6-10(13,14)11(15,16)12(17,18)19/h4-9H2,1-3H3
InChIKeyFMMBXEAKMXWKJY-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.37
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane 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 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane?
The IUPAC name of 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane (CID 59112365) is 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane.
What is the SMILES notation for 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane?
The canonical SMILES for 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane is CCC[Si](CCC)(CCC(F)(F)C(F)(F)C(F)(F)F)OC.
What is the InChIKey of 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane?
The InChIKey is FMMBXEAKMXWKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F7OSi/c1-4-7-21(20-3,8-5-2)9-6-10(13,14)11(15,16)12(17,18)19/h4-9H2,1-3H3.
What are the key properties of 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane?
3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane has a molecular weight of 342.37 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,5-heptafluoropentyl-methoxy-dipropylsilane is sourced from PubChem (CID 59112365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).