di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane

C19H25F17O2Si — CID 87247627

IUPACdi(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
SMILESCCC(C)O[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)CC
InChIInChI=1S/C19H25F17O2Si/c1-6-10(3)37-39(5,38-11(4)7-2)9-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10-11H,6-9H2,1-5H3
InChIKeyYQFLKTIPHSVWBV-UHFFFAOYSA-N
MW636.46 g/mol
LogP9.09
Rot. Bonds15

About di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane

di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane (PubChem CID 87247627) has the molecular formula C19H25F17O2Si and a molecular weight of 636.46 g/mol. Its IUPAC name is di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane.

Molecular Properties

Compound Namedi(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
PubChem CID87247627
Molecular FormulaC19H25F17O2Si
Molecular Weight636.46 g/mol
Exact Mass636.14
IUPAC Namedi(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane
SMILESCCC(C)O[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)CC
InChIInChI=1S/C19H25F17O2Si/c1-6-10(3)37-39(5,38-11(4)7-2)9-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10-11H,6-9H2,1-5H3
InChIKeyYQFLKTIPHSVWBV-UHFFFAOYSA-N
XLogP9.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.46
LogP ≤ 59.09
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

dimethoxy-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 2776323
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-methyl-bis(trimethylsilyloxy)silane
CID 165430176
dimethoxy-methyl-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)silane
CID 22600762
dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-nonadecafluoroundecyl)silane
CID 101217112
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
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
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-methoxy-dimethylsilane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-methyldodecane;methanol
CID 54277286
N-[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl(dimethyl)silyl]-N-methylmethanamine
CID 58040750
N-[dimethyl(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)silyl]-N-methylmethanamine
CID 175854571
ethane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)silane
CID 91160276
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-dimethyl-(1-trimethylstannylcyclopenta-2,4-dien-1-yl)silane
CID 177417658

Frequently Asked Questions

What is the IUPAC name of di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane?
The IUPAC name of di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane (CID 87247627) is di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane.
What is the SMILES notation for di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane?
The canonical SMILES for di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane is CCC(C)O[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)CC.
What is the InChIKey of di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane?
The InChIKey is YQFLKTIPHSVWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F17O2Si/c1-6-10(3)37-39(5,38-11(4)7-2)9-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h10-11H,6-9H2,1-5H3.
What are the key properties of di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane?
di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane has a molecular weight of 636.46 g/mol, XLogP of 9.09, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yloxy)-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-methylsilane is sourced from PubChem (CID 87247627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).