trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane

C13H16F14O3Si — CID 102247374

IUPACtrimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)(OC)OC
InChIInChI=1S/C13H16F14O3Si/c1-7(14,15)9(18,19)11(22,23)13(26,27)12(24,25)10(20,21)8(16,17)5-6-31(28-2,29-3)30-4/h5-6H2,1-4H3
InChIKeyRHAXVKORLRCSND-UHFFFAOYSA-N
MW514.33 g/mol
LogP5.72
Rot. Bonds12

About trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane

trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane (PubChem CID 102247374) has the molecular formula C13H16F14O3Si and a molecular weight of 514.33 g/mol. Its IUPAC name is trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane.

Molecular Properties

Compound Nametrimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane
PubChem CID102247374
Molecular FormulaC13H16F14O3Si
Molecular Weight514.33 g/mol
Exact Mass514.06
IUPAC Nametrimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane
SMILESCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)(OC)OC
InChIInChI=1S/C13H16F14O3Si/c1-7(14,15)9(18,19)11(22,23)13(26,27)12(24,25)10(20,21)8(16,17)5-6-31(28-2,29-3)30-4/h5-6H2,1-4H3
InChIKeyRHAXVKORLRCSND-UHFFFAOYSA-N
XLogP5.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.33
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-octadecafluorododecyl)silane
CID 54195481
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-hentriacontafluoroheptadecyl(trimethoxy)silane
CID 175694492
[3,3,4,4,5,5,6,6,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octyl]-trimethoxysilane
CID 25261174
[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl]-trimethoxysilane
CID 25261329
ethane;3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(trimethoxy)silane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 158052991
dimethoxy-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 2776323
2,2,3,3,4,4,5,5,6,6-decafluoro-1-methoxyheptane
CID 158825980
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorononan-1-ol
CID 159243232
dihydroxy-methoxy-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 146679665
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl)silane;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 171316019
triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane;triethoxy(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 159728593
dimethoxy-methyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 22600762

Frequently Asked Questions

What is the IUPAC name of trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane?
The IUPAC name of trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane (CID 102247374) is trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane.
What is the SMILES notation for trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane?
The canonical SMILES for trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane is CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C)(F)F)(OC)OC.
What is the InChIKey of trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane?
The InChIKey is RHAXVKORLRCSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F14O3Si/c1-7(14,15)9(18,19)11(22,23)13(26,27)12(24,25)10(20,21)8(16,17)5-6-31(28-2,29-3)30-4/h5-6H2,1-4H3.
What are the key properties of trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane?
trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane has a molecular weight of 514.33 g/mol, XLogP of 5.72, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,9,9-tetradecafluorodecyl)silane is sourced from PubChem (CID 102247374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).