carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride

C56H127ClFIN2O18P2Si3 — CID 160597676

IUPACcarbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride
SMILESCC(C)COC(=O)OC(C)CO.CC(C)COC(=O)OC(C)CO[Si](C)(C)C.CC(O)COC(=O)OC(C)CO[Si](C)(C)C.CC(O)CO[Si](C)(C)C.CC1CO1.CCCC[N+](CCCC)(CCCC)CCCC.CI.O=C=O.[Cl-].[F-].[NH2+]=PP
InChIInChI=1S/C16H36N.C11H24O4Si.C10H22O5Si.C8H16O4.C6H16O2Si.C3H6O.CH3I.CO2.ClH.FH.H3NP2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)7-13-11(12)15-10(3)8-14-16(4,5)6;1-8(11)6-13-10(12)15-9(2)7-14-16(3,4)5;1-6(2)5-11-8(10)12-7(3)4-9;1-6(7)5-8-9(2,3)4;1-3-2-4-3;1-2;2-1-3;;;1-3-2/h5-16H2,1-4H3;9-10H,7-8H2,1-6H3;8-9,11H,6-7H2,1-5H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;3H,2H2,1H3;1H3;;2*1H;1H,2H2/q+1;;;;;;;;;;/p-1
InChIKeyFRSAKLRVLKLYRK-UHFFFAOYSA-M
MW1444.19 g/mol
LogP6.74
Rot. Bonds31

About carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride

carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride (PubChem CID 160597676) has the molecular formula C56H127ClFIN2O18P2Si3 and a molecular weight of 1444.19 g/mol. Its IUPAC name is carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride.

Molecular Properties

Compound Namecarbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride
PubChem CID160597676
Molecular FormulaC56H127ClFIN2O18P2Si3
Molecular Weight1444.19 g/mol
Exact Mass1442.66
IUPAC Namecarbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride
SMILESCC(C)COC(=O)OC(C)CO.CC(C)COC(=O)OC(C)CO[Si](C)(C)C.CC(O)COC(=O)OC(C)CO[Si](C)(C)C.CC(O)CO[Si](C)(C)C.CC1CO1.CCCC[N+](CCCC)(CCCC)CCCC.CI.O=C=O.[Cl-].[F-].[NH2+]=PP
InChIInChI=1S/C16H36N.C11H24O4Si.C10H22O5Si.C8H16O4.C6H16O2Si.C3H6O.CH3I.CO2.ClH.FH.H3NP2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)7-13-11(12)15-10(3)8-14-16(4,5)6;1-8(11)6-13-10(12)15-9(2)7-14-16(3,4)5;1-6(2)5-11-8(10)12-7(3)4-9;1-6(7)5-8-9(2,3)4;1-3-2-4-3;1-2;2-1-3;;;1-3-2/h5-16H2,1-4H3;9-10H,7-8H2,1-6H3;8-9,11H,6-7H2,1-5H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;3H,2H2,1H3;1H3;;2*1H;1H,2H2/q+1;;;;;;;;;;/p-1
InChIKeyFRSAKLRVLKLYRK-UHFFFAOYSA-M
XLogP6.74
TPSA267.23 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds31
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001444.19
LogP ≤ 56.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride with MolForge

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Related Compounds

1-(2-hydroxyethoxy)propan-2-yl 2-(2-hydroxyethoxy)propyl carbonate;1-hydroxypropan-2-yl 2-hydroxypropyl carbonate;iodomethane;methane;2-methyloxirane;oxirane;phosphanylphosphanylideneazanium;propane-1,2-diol;chloride
CID 160594088
bis[1-[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yl] carbonate;bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl] carbonate;tert-butyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yloxycarbonyloxy]propan-2-yl carbonate;carbon dioxide;2-methyloxirane
CID 160736202
bis[2-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl] carbonate;tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]butan-2-yloxycarbonyloxy]propyl carbonate;tert-butyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyloxy]propan-2-yloxycarbonyloxy]propan-2-yl carbonate;carbon dioxide;2-methyloxirane
CID 159094800
decan-2-yl 2-methylpropyl carbonate
CID 91692891
tert-butyl 1-(1-hydroxypropan-2-yloxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(1-hydroxypropan-2-yloxycarbonyloxy)propyl carbonate;tert-butyl 1-(2-hydroxypropoxycarbonyloxy)propan-2-yl carbonate;tert-butyl 2-(2-hydroxypropoxycarbonyloxy)propyl carbonate
CID 158897155
acetic acid;1-hydroxypropan-2-yl methyl carbonate;2-methyloxirane
CID 159117915
2-hydroxypropyl 2-methylpropyl carbonate
CID 118462000
1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate
CID 153444400
2-(2-methoxypropoxycarbonyloxy)propyl 2-methylpropyl carbonate
CID 58422700
1-O-[2-(2-hydroxypropoxycarbonyloxy)propyl] 3-O-[2-(2-methoxypropoxycarbonyloxy)propyl] propanedioate
CID 88542811
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
2-[3-hydroxy-2-(2-hydroxypropoxy)propoxy]carbonyloxypropyl [2-(2-hydroxypropoxy)-3-methoxypropyl] carbonate
CID 18965870

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride?
The IUPAC name of carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride (CID 160597676) is carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride.
What is the SMILES notation for carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride?
The canonical SMILES for carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride is CC(C)COC(=O)OC(C)CO.CC(C)COC(=O)OC(C)CO[Si](C)(C)C.CC(O)COC(=O)OC(C)CO[Si](C)(C)C.CC(O)CO[Si](C)(C)C.CC1CO1.CCCC[N+](CCCC)(CCCC)CCCC.CI.O=C=O.[Cl-].[F-].[NH2+]=PP.
What is the InChIKey of carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride?
The InChIKey is FRSAKLRVLKLYRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.C11H24O4Si.C10H22O5Si.C8H16O4.C6H16O2Si.C3H6O.CH3I.CO2.ClH.FH.H3NP2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-9(2)7-13-11(12)15-10(3)8-14-16(4,5)6;1-8(11)6-13-10(12)15-9(2)7-14-16(3,4)5;1-6(2)5-11-8(10)12-7(3)4-9;1-6(7)5-8-9(2,3)4;1-3-2-4-3;1-2;2-1-3;;;1-3-2/h5-16H2,1-4H3;9-10H,7-8H2,1-6H3;8-9,11H,6-7H2,1-5H3;6-7,9H,4-5H2,1-3H3;6-7H,5H2,1-4H3;3H,2H2,1H3;1H3;;2*1H;1H,2H2/q+1;;;;;;;;;;/p-1.
What are the key properties of carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride?
carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride has a molecular weight of 1444.19 g/mol, XLogP of 6.74, 31 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;1-hydroxypropan-2-yl 2-methylpropyl carbonate;2-hydroxypropyl 1-trimethylsilyloxypropan-2-yl carbonate;iodomethane;2-methyloxirane;2-methylpropyl 1-trimethylsilyloxypropan-2-yl carbonate;phosphanylphosphanylideneazanium;tetrabutylazanium;1-trimethylsilyloxypropan-2-ol;chloride;fluoride is sourced from PubChem (CID 160597676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).