6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane

C17H19F17OSi — CID 174989694

IUPAC6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane
SMILESCC1(C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)CCC[Si](C)(C)O1
InChIInChI=1S/C17H19F17OSi/c1-11(5-4-6-36(2,3)35-11)10(22)13(25,26)15(29,30)17(33,34)16(31,32)14(27,28)12(23,24)8(19)7(18)9(20)21/h7-10H,4-6H2,1-3H3
InChIKeyRJSAAAMPCJADGP-UHFFFAOYSA-N
MW590.39 g/mol
LogP7.85
Rot. Bonds10

About 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane

6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane (PubChem CID 174989694) has the molecular formula C17H19F17OSi and a molecular weight of 590.39 g/mol. Its IUPAC name is 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane.

Molecular Properties

Compound Name6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane
PubChem CID174989694
Molecular FormulaC17H19F17OSi
Molecular Weight590.39 g/mol
Exact Mass590.09
IUPAC Name6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane
SMILESCC1(C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)CCC[Si](C)(C)O1
InChIInChI=1S/C17H19F17OSi/c1-11(5-4-6-36(2,3)35-11)10(22)13(25,26)15(29,30)17(33,34)16(31,32)14(27,28)12(23,24)8(19)7(18)9(20)21/h7-10H,4-6H2,1-3H3
InChIKeyRJSAAAMPCJADGP-UHFFFAOYSA-N
XLogP7.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.39
LogP ≤ 57.85
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 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane 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 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane?
The IUPAC name of 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane (CID 174989694) is 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane.
What is the SMILES notation for 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane?
The canonical SMILES for 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane is CC1(C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F)CCC[Si](C)(C)O1.
What is the InChIKey of 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane?
The InChIKey is RJSAAAMPCJADGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F17OSi/c1-11(5-4-6-36(2,3)35-11)10(22)13(25,26)15(29,30)17(33,34)16(31,32)14(27,28)12(23,24)8(19)7(18)9(20)21/h7-10H,4-6H2,1-3H3.
What are the key properties of 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane?
6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane has a molecular weight of 590.39 g/mol, XLogP of 7.85, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecyl)-2,2,6-trimethyloxasilinane is sourced from PubChem (CID 174989694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).