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

C17H15F21OSi — CID 175180201

IUPAC6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1
InChIInChI=1S/C17H15F21OSi/c1-7(5-4-6-40(2,3)39-7)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h4-6H2,1-3H3
InChIKeyWWKNXAXVNPRMPK-UHFFFAOYSA-N
MW662.35 g/mol
LogP9.04
Rot. Bonds9

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

6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane (PubChem CID 175180201) has the molecular formula C17H15F21OSi and a molecular weight of 662.35 g/mol. Its IUPAC name is 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane.

Molecular Properties

Compound Name6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane
PubChem CID175180201
Molecular FormulaC17H15F21OSi
Molecular Weight662.35 g/mol
Exact Mass662.06
IUPAC Name6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane
SMILESCC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1
InChIInChI=1S/C17H15F21OSi/c1-7(5-4-6-40(2,3)39-7)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h4-6H2,1-3H3
InChIKeyWWKNXAXVNPRMPK-UHFFFAOYSA-N
XLogP9.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.35
LogP ≤ 59.04
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-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane?
The IUPAC name of 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane (CID 175180201) is 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane.
What is the SMILES notation for 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane?
The canonical SMILES for 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane is CC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC[Si](C)(C)O1.
What is the InChIKey of 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane?
The InChIKey is WWKNXAXVNPRMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F21OSi/c1-7(5-4-6-40(2,3)39-7)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h4-6H2,1-3H3.
What are the key properties of 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane?
6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane has a molecular weight of 662.35 g/mol, XLogP of 9.04, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)-2,2,6-trimethyloxasilinane is sourced from PubChem (CID 175180201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).