[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane

C16H13F21OSi — CID 174146457

IUPAC[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane
SMILESC[SiH2]C1(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)CCCCO1
InChIInChI=1S/C16H13F21OSi/c1-39-6(4-2-3-5-38-6)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h2-5,39H2,1H3
InChIKeyVGJUPSDHNYDDOJ-UHFFFAOYSA-N
MW648.32 g/mol
LogP7.38
Rot. Bonds10

About [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane

[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane (PubChem CID 174146457) has the molecular formula C16H13F21OSi and a molecular weight of 648.32 g/mol. Its IUPAC name is [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane.

Molecular Properties

Compound Name[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane
PubChem CID174146457
Molecular FormulaC16H13F21OSi
Molecular Weight648.32 g/mol
Exact Mass648.04
IUPAC Name[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane
SMILESC[SiH2]C1(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)CCCCO1
InChIInChI=1S/C16H13F21OSi/c1-39-6(4-2-3-5-38-6)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h2-5,39H2,1H3
InChIKeyVGJUPSDHNYDDOJ-UHFFFAOYSA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.32
LogP ≤ 57.38
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 [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane 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 [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane?
The IUPAC name of [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane (CID 174146457) is [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane.
What is the SMILES notation for [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane?
The canonical SMILES for [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane is C[SiH2]C1(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)CCCCO1.
What is the InChIKey of [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane?
The InChIKey is VGJUPSDHNYDDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F21OSi/c1-39-6(4-2-3-5-38-6)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h2-5,39H2,1H3.
What are the key properties of [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane?
[2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane has a molecular weight of 648.32 g/mol, XLogP of 7.38, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)oxan-2-yl]-methylsilane is sourced from PubChem (CID 174146457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).