tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane

C36H70O10 — CID 160668892

IUPACtert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane
SMILESC.CC(C)(C)OCC(C)(COC(C)(C)C)C(=O)OCC(C)(COC(=O)C(C)(COC(C)(C)C)COC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C35H66O10.CH4/c1-28(2,3)41-21-34(17,22-42-29(4,5)6)25(36)39-19-33(16,27(38)45-32(13,14)15)20-40-26(37)35(18,23-43-30(7,8)9)24-44-31(10,11)12;/h19-24H2,1-18H3;1H4
InChIKeyRMRAKCGRLPFMON-UHFFFAOYSA-N
MW662.95 g/mol
LogP7.33
Rot. Bonds15

About tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane

tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane (PubChem CID 160668892) has the molecular formula C36H70O10 and a molecular weight of 662.95 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane
PubChem CID160668892
Molecular FormulaC36H70O10
Molecular Weight662.95 g/mol
Exact Mass662.50
IUPAC Nametert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane
SMILESC.CC(C)(C)OCC(C)(COC(C)(C)C)C(=O)OCC(C)(COC(=O)C(C)(COC(C)(C)C)COC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C35H66O10.CH4/c1-28(2,3)41-21-34(17,22-42-29(4,5)6)25(36)39-19-33(16,27(38)45-32(13,14)15)20-40-26(37)35(18,23-43-30(7,8)9)24-44-31(10,11)12;/h19-24H2,1-18H3;1H4
InChIKeyRMRAKCGRLPFMON-UHFFFAOYSA-N
XLogP7.33
TPSA115.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.95
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane with MolForge

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Related Compounds

tert-butyl 2-methyl-3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]but-1-en-2-yl]oxy-2-[[3-methyl-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]but-1-en-2-yl]oxymethyl]propanoate
CID 58085172
[2-methyl-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl] 3,6,6,8,8-pentamethyl-1,5-dioxocane-3-carboxylate
CID 71242132
tert-butyl (2R)-2-amino-2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 166066417
tert-butyl 2-[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(3,3-dimethyl-2-oxobutyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]acetate;tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoate;methane
CID 159377939
[3-ethoxy-2-methyl-2-(3-methylpentan-3-yloxymethyl)-3-oxopropyl] 2-ethyl-2-methylbutanoate
CID 166789503
tert-butyl (2R)-2-(aminomethyl)-2-methylbutanoate
CID 124571858
[3-[2-[3-(2-ethyl-2-methylbutanoyl)oxy-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methylpropanoyl]oxyethoxy]-2-[(2-ethyl-2-methylbutanoyl)oxymethyl]-2-methyl-3-oxopropyl] 2-ethyl-2-methylbutanoate
CID 58085190
[3-[3-[3-[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2,2-bis[[3-[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxy-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]propoxy]-2-[[3-[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxy-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropoxy]-2-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]oxymethyl]-2-methyl-3-oxopropyl] 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 88981172
3-O-tert-butyl 1-O-ethyl (2R)-2-fluoro-2-methylpropanedioate
CID 126688340
tert-butyl (2-methylpropan-2-yl)oxymethyl carbonate
CID 138563877
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
tert-butyl 2-(chloromethyl)-2-methylbutanoate
CID 158378960

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane?
The IUPAC name of tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane (CID 160668892) is tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane.
What is the SMILES notation for tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane?
The canonical SMILES for tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane is C.CC(C)(C)OCC(C)(COC(C)(C)C)C(=O)OCC(C)(COC(=O)C(C)(COC(C)(C)C)COC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane?
The InChIKey is RMRAKCGRLPFMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66O10.CH4/c1-28(2,3)41-21-34(17,22-42-29(4,5)6)25(36)39-19-33(16,27(38)45-32(13,14)15)20-40-26(37)35(18,23-43-30(7,8)9)24-44-31(10,11)12;/h19-24H2,1-18H3;1H4.
What are the key properties of tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane?
tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane has a molecular weight of 662.95 g/mol, XLogP of 7.33, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxymethyl]propanoyl]oxymethyl]propanoate;methane is sourced from PubChem (CID 160668892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).