methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane

C15H21F13O2Si — CID 87247855

IUPACmethyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane
SMILESCC(C)O[Si](C)(OC(C)C)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F
InChIInChI=1S/C15H21F13O2Si/c1-6(2)29-31(5,30-7(3)4)11(20)13(23,24)15(27,28)14(25,26)12(21,22)9(17)8(16)10(18)19/h6-11H,1-5H3
InChIKeyYIRSSEFNFRRZQK-UHFFFAOYSA-N
MW508.39 g/mol
LogP6.27
Rot. Bonds12

About methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane

methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane (PubChem CID 87247855) has the molecular formula C15H21F13O2Si and a molecular weight of 508.39 g/mol. Its IUPAC name is methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane.

Molecular Properties

Compound Namemethyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane
PubChem CID87247855
Molecular FormulaC15H21F13O2Si
Molecular Weight508.39 g/mol
Exact Mass508.11
IUPAC Namemethyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane
SMILESCC(C)O[Si](C)(OC(C)C)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F
InChIInChI=1S/C15H21F13O2Si/c1-6(2)29-31(5,30-7(3)4)11(20)13(23,24)15(27,28)14(25,26)12(21,22)9(17)8(16)10(18)19/h6-11H,1-5H3
InChIKeyYIRSSEFNFRRZQK-UHFFFAOYSA-N
XLogP6.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.39
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltriethoxysilan
CID 103991
1H,1H,2H,2H-Perfluorodecyltriethoxysilane
CID 145374
Dimethoxymethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 2776323
Silane, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl)-
CID 2782916
Triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecyl)silane
CID 2782917
Perfluorooctyltriethoxysilane
CID 11657151
Diethoxy(2-(perfluorooctyl)-1-ethyl)methylsilane
CID 15806690
Ethoxydimethyl((perfluorohexyl)ethyl)silane
CID 18448867
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyltriisopropoxysilane
CID 23160471
1H,1H,2H,2H-Perfluorodecyl(tri-iso-propoxy)silane
CID 23160473
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)(tripropoxy)silane
CID 23160487
Methoxydipropyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 59112335

Frequently Asked Questions

What is the IUPAC name of methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane?
The IUPAC name of methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane (CID 87247855) is methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane.
What is the SMILES notation for methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane?
The canonical SMILES for methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane is CC(C)O[Si](C)(OC(C)C)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F.
What is the InChIKey of methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane?
The InChIKey is YIRSSEFNFRRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F13O2Si/c1-6(2)29-31(5,30-7(3)4)11(20)13(23,24)15(27,28)14(25,26)12(21,22)9(17)8(16)10(18)19/h6-11H,1-5H3.
What are the key properties of methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane?
methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane has a molecular weight of 508.39 g/mol, XLogP of 6.27, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-di(propan-2-yloxy)-(1,2,2,3,3,4,4,5,5,6,7,8,8-tridecafluorooctyl)silane is sourced from PubChem (CID 87247855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).