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

C56H98O30 — CID 159094800

IUPACbis[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
SMILESCC(COC(=O)OC(C)(C)C)OC(=O)OC(C)C(C)OC(=O)OC(C)(C)C.CC(COC(=O)OC(C)(C)C)OC(=O)OCC(C)OC(=O)OC(C)(C)C.CC(COC(=O)OCC(C)OC(=O)OC(C)(C)C)OC(=O)OC(C)(C)C.CC1CO1.O=C=O
InChIInChI=1S/C18H32O9.2C17H30O9.C3H6O.CO2/c1-11(10-22-14(19)26-17(4,5)6)23-15(20)24-12(2)13(3)25-16(21)27-18(7,8)9;1-11(10-22-14(19)25-16(3,4)5)23-13(18)21-9-12(2)24-15(20)26-17(6,7)8;1-11(23-14(19)25-16(3,4)5)9-21-13(18)22-10-12(2)24-15(20)26-17(6,7)8;1-3-2-4-3;2-1-3/h11-13H,10H2,1-9H3;2*11-12H,9-10H2,1-8H3;3H,2H2,1H3;
InChIKeyKCNLQZFQQUDXQY-UHFFFAOYSA-N
MW1251.37 g/mol
LogP11.67
Rot. Bonds18

About 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

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 (PubChem CID 159094800) has the molecular formula C56H98O30 and a molecular weight of 1251.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis[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
PubChem CID159094800
Molecular FormulaC56H98O30
Molecular Weight1251.37 g/mol
Exact Mass1250.61
IUPAC Namebis[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
SMILESCC(COC(=O)OC(C)(C)C)OC(=O)OC(C)C(C)OC(=O)OC(C)(C)C.CC(COC(=O)OC(C)(C)C)OC(=O)OCC(C)OC(=O)OC(C)(C)C.CC(COC(=O)OCC(C)OC(=O)OC(C)(C)C)OC(=O)OC(C)(C)C.CC1CO1.O=C=O
InChIInChI=1S/C18H32O9.2C17H30O9.C3H6O.CO2/c1-11(10-22-14(19)26-17(4,5)6)23-15(20)24-12(2)13(3)25-16(21)27-18(7,8)9;1-11(10-22-14(19)25-16(3,4)5)23-13(18)21-9-12(2)24-15(20)26-17(6,7)8;1-11(23-14(19)25-16(3,4)5)9-21-13(18)22-10-12(2)24-15(20)26-17(6,7)8;1-3-2-4-3;2-1-3/h11-13H,10H2,1-9H3;2*11-12H,9-10H2,1-8H3;3H,2H2,1H3;
InChIKeyKCNLQZFQQUDXQY-UHFFFAOYSA-N
XLogP11.67
TPSA366.44 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds18
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001251.37
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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
1-(fluoromethoxycarbonyloxy)propan-2-yl fluoromethyl carbonate
CID 130266239
tert-butyl 3-methylpentan-2-yl carbonate
CID 129191727
tert-butyl 3-methylhexan-2-yl carbonate
CID 130432376
acetic acid;1-hydroxypropan-2-yl methyl carbonate;2-methyloxirane
CID 159117915
tert-butyl 2-(oxiran-2-yl)propanoate
CID 138606951
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
2-(1-chloroethoxycarbonyloxy)propyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 172701864
2-(2-methylcyclopropanecarbonyl)oxypropyl 2-methylcyclopropane-1-carboxylate
CID 118199278
1-hydroxypropan-2-yl 1-phosphanyloxycarbonyloxypropan-2-yl carbonate
CID 153444400
bis(1-hydroperoxypropan-2-yl) carbonate
CID 174639053

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(COC(=O)OC(C)(C)C)OC(=O)OC(C)C(C)OC(=O)OC(C)(C)C.CC(COC(=O)OC(C)(C)C)OC(=O)OCC(C)OC(=O)OC(C)(C)C.CC(COC(=O)OCC(C)OC(=O)OC(C)(C)C)OC(=O)OC(C)(C)C.CC1CO1.O=C=O.
What is the InChIKey of 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?
The InChIKey is KCNLQZFQQUDXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O9.2C17H30O9.C3H6O.CO2/c1-11(10-22-14(19)26-17(4,5)6)23-15(20)24-12(2)13(3)25-16(21)27-18(7,8)9;1-11(10-22-14(19)25-16(3,4)5)23-13(18)21-9-12(2)24-15(20)26-17(6,7)8;1-11(23-14(19)25-16(3,4)5)9-21-13(18)22-10-12(2)24-15(20)26-17(6,7)8;1-3-2-4-3;2-1-3/h11-13H,10H2,1-9H3;2*11-12H,9-10H2,1-8H3;3H,2H2,1H3;.
What are the key properties of 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?
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 has a molecular weight of 1251.37 g/mol, XLogP of 11.67, 18 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159094800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).