carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane

C52H120F8O24S4Si4 — CID 161380030

IUPACcarbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane
SMILESC.C.C.C.C.C.C.C.CCC[Si](C)(CCCC(=O)OCC(F)(F)S(=O)(=O)[O-])OC.CC[Si](C)(CCCC(=O)OCC(F)(F)S(=O)(=O)[O-])OC.CO[Si](C)(C)CCCC(=O)OCC(F)(F)S(=O)(=O)[O-].CO[Si](C)(C)CCCCC(=O)OCC(F)(F)S(=O)(=O)[O-].[CH3+].[CH3+].[CH3+].[CH3+]
InChIInChI=1S/C11H22F2O6SSi.2C10H20F2O6SSi.C9H18F2O6SSi.8CH4.4CH3/c1-4-7-21(3,18-2)8-5-6-10(14)19-9-11(12,13)20(15,16)17;1-17-20(2,3)7-5-4-6-9(13)18-8-10(11,12)19(14,15)16;1-4-20(3,17-2)7-5-6-9(13)18-8-10(11,12)19(14,15)16;1-16-19(2,3)6-4-5-8(12)17-7-9(10,11)18(13,14)15;;;;;;;;;;;;/h4-9H2,1-3H3,(H,15,16,17);2*4-8H2,1-3H3,(H,14,15,16);4-7H2,1-3H3,(H,13,14,15);8*1H4;4*1H3/q;;;;;;;;;;;;4*+1/p-4
InChIKeyVRPGQMSPJUDXJQ-UHFFFAOYSA-J
MW1522.10 g/mol
LogP13.65
Rot. Bonds36

About carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane

carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane (PubChem CID 161380030) has the molecular formula C52H120F8O24S4Si4 and a molecular weight of 1522.10 g/mol. Its IUPAC name is carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane.

Molecular Properties

Compound Namecarbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane
PubChem CID161380030
Molecular FormulaC52H120F8O24S4Si4
Molecular Weight1522.10 g/mol
Exact Mass1520.60
IUPAC Namecarbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane
SMILESC.C.C.C.C.C.C.C.CCC[Si](C)(CCCC(=O)OCC(F)(F)S(=O)(=O)[O-])OC.CC[Si](C)(CCCC(=O)OCC(F)(F)S(=O)(=O)[O-])OC.CO[Si](C)(C)CCCC(=O)OCC(F)(F)S(=O)(=O)[O-].CO[Si](C)(C)CCCCC(=O)OCC(F)(F)S(=O)(=O)[O-].[CH3+].[CH3+].[CH3+].[CH3+]
InChIInChI=1S/C11H22F2O6SSi.2C10H20F2O6SSi.C9H18F2O6SSi.8CH4.4CH3/c1-4-7-21(3,18-2)8-5-6-10(14)19-9-11(12,13)20(15,16)17;1-17-20(2,3)7-5-4-6-9(13)18-8-10(11,12)19(14,15)16;1-4-20(3,17-2)7-5-6-9(13)18-8-10(11,12)19(14,15)16;1-16-19(2,3)6-4-5-8(12)17-7-9(10,11)18(13,14)15;;;;;;;;;;;;/h4-9H2,1-3H3,(H,15,16,17);2*4-8H2,1-3H3,(H,14,15,16);4-7H2,1-3H3,(H,13,14,15);8*1H4;4*1H3/q;;;;;;;;;;;;4*+1/p-4
InChIKeyVRPGQMSPJUDXJQ-UHFFFAOYSA-J
XLogP13.65
TPSA370.92 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.10
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane with MolForge

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Related Compounds

1,1-difluoro-2-pentanoyloxyethanesulfonate
CID 59185150
1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)pentanoyloxy]ethanesulfonate
CID 58352325
1,1-difluoro-2-tridecanoyloxyethanesulfonic acid
CID 129070493
1,1-difluoro-2-[6-(2-fluoroprop-2-enoyloxy)hexanoyloxy]ethanesulfonate
CID 58352339
3,3,3-trifluoro-2-[9-[methoxy(dimethyl)silyl]nonanoyloxy]-2-(trifluoromethyl)propane-1-sulfonic acid
CID 153308380
2,2,2-trifluoroethyl icosanoate
CID 91691512
2,2,2-trifluoroethyl octanoate
CID 14590003
12-[methoxy(dimethyl)silyl]-N-(trifluoromethylsulfonyl)dodecanamide
CID 153300305
ethane;2,2,2-trifluoroethyl tetradecanoate
CID 153334171
14-[methoxy(dimethyl)silyl]tetradecan-4-one
CID 157055533
2-[4-[ethyl-(2,3,5-triiodobenzoyl)amino]butanoyloxy]-1,1-difluoroethanesulfonate
CID 167388432
bis(2,2,2-trifluoroethyl) decanedioate
CID 22271802

Frequently Asked Questions

What is the IUPAC name of carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane?
The IUPAC name of carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane (CID 161380030) is carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane.
What is the SMILES notation for carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane?
The canonical SMILES for carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane is C.C.C.C.C.C.C.C.CCC[Si](C)(CCCC(=O)OCC(F)(F)S(=O)(=O)[O-])OC.CC[Si](C)(CCCC(=O)OCC(F)(F)S(=O)(=O)[O-])OC.CO[Si](C)(C)CCCC(=O)OCC(F)(F)S(=O)(=O)[O-].CO[Si](C)(C)CCCCC(=O)OCC(F)(F)S(=O)(=O)[O-].[CH3+].[CH3+].[CH3+].[CH3+].
What is the InChIKey of carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane?
The InChIKey is VRPGQMSPJUDXJQ-UHFFFAOYSA-J. The full InChI is InChI=1S/C11H22F2O6SSi.2C10H20F2O6SSi.C9H18F2O6SSi.8CH4.4CH3/c1-4-7-21(3,18-2)8-5-6-10(14)19-9-11(12,13)20(15,16)17;1-17-20(2,3)7-5-4-6-9(13)18-8-10(11,12)19(14,15)16;1-4-20(3,17-2)7-5-6-9(13)18-8-10(11,12)19(14,15)16;1-16-19(2,3)6-4-5-8(12)17-7-9(10,11)18(13,14)15;;;;;;;;;;;;/h4-9H2,1-3H3,(H,15,16,17);2*4-8H2,1-3H3,(H,14,15,16);4-7H2,1-3H3,(H,13,14,15);8*1H4;4*1H3/q;;;;;;;;;;;;4*+1/p-4.
What are the key properties of carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane?
carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane has a molecular weight of 1522.10 g/mol, XLogP of 13.65, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for carbanylium;1,1-difluoro-2-[4-[methoxy(dimethyl)silyl]butanoyloxy]ethanesulfonate;1,1-difluoro-2-[5-[methoxy(dimethyl)silyl]pentanoyloxy]ethanesulfonate;1,1-difluoro-2-[4-(methoxy-methyl-propylsilyl)butanoyloxy]ethanesulfonate;2-[4-(ethyl-methoxy-methylsilyl)butanoyloxy]-1,1-difluoroethanesulfonate;methane is sourced from PubChem (CID 161380030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).