cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate

C101H192N2O28 — CID 161449107

About cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate

cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate (PubChem CID 161449107) has the molecular formula C101H192N2O28 and a molecular weight of 1882.63 g/mol. Its IUPAC name is cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate.

Molecular Properties

• Compound Name: cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate
• PubChem CID: 161449107
• Molecular Formula: C101H192N2O28
• Molecular Weight: 1882.63 g/mol
• Exact Mass: 1881.37
• IUPAC Name: cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate
• SMILES: C.C=C1OC(C)=C(CC(C)C)O1.CC(=O)OCC(C)C.CC(C)C(C)OC(=O)c1ccccc1.CC(C)COC(=O)C(C)(C)C.CC(C)COC(=O)C(C)(C)C.CC(C)COC(=O)C(C)C.CC(C)COC(=O)N(C)C.CC(C)COC(=O)OC(C)C.CC(C)COC(=O)OC1CCCCC1.CCOC(=O)OC(C)C(C)C.CCOC(=O)OCC(C)C.CNC(=O)OCC(C)C
• InChI: InChI=1S/C12H16O2.C11H20O3.C9H14O2.2C9H18O2.2C8H16O3.C8H16O2.C7H15NO2.C7H14O3.C6H13NO2.C6H12O2.CH4/c1-9(2)10(3)14-12(13)11-7-5-4-6-8-11;1-9(2)8-13-11(12)14-10-6-4-3-5-7-10;1-6(2)5-9-7(3)10-8(4)11-9;2*1-7(2)6-11-8(10)9(3,4)5;1-6(2)5-10-8(9)11-7(3)4;1-5-10-8(9)11-7(4)6(2)3;1-6(2)5-10-8(9)7(3)4;1-6(2)5-10-7(9)8(3)4;1-4-9-7(8)10-5-6(2)3;1-5(2)4-9-6(8)7-3;1-5(2)4-8-6(3)7;/h4-10H,1-3H3;9-10H,3-8H2,1-2H3;6H,4-5H2,1-3H3;2*7H,6H2,1-5H3;2*6-7H,5H2,1-4H3;6-7H,5H2,1-4H3;6H,5H2,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3,(H,7,8);5H,4H2,1-3H3;1H4
• InChIKey: WAHDXSNLAJDFBV-UHFFFAOYSA-N
• XLogP: 25.51
• TPSA: 359.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 30
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1882.63
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate?

The IUPAC name of cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate (CID 161449107) is cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate.

What is the SMILES notation for cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate?

The canonical SMILES for cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate is C.C=C1OC(C)=C(CC(C)C)O1.CC(=O)OCC(C)C.CC(C)C(C)OC(=O)c1ccccc1.CC(C)COC(=O)C(C)(C)C.CC(C)COC(=O)C(C)(C)C.CC(C)COC(=O)C(C)C.CC(C)COC(=O)N(C)C.CC(C)COC(=O)OC(C)C.CC(C)COC(=O)OC1CCCCC1.CCOC(=O)OC(C)C(C)C.CCOC(=O)OCC(C)C.CNC(=O)OCC(C)C.

What is the InChIKey of cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate?

The InChIKey is WAHDXSNLAJDFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2.C11H20O3.C9H14O2.2C9H18O2.2C8H16O3.C8H16O2.C7H15NO2.C7H14O3.C6H13NO2.C6H12O2.CH4/c1-9(2)10(3)14-12(13)11-7-5-4-6-8-11;1-9(2)8-13-11(12)14-10-6-4-3-5-7-10;1-6(2)5-9-7(3)10-8(4)11-9;2*1-7(2)6-11-8(10)9(3,4)5;1-6(2)5-10-8(9)11-7(3)4;1-5-10-8(9)11-7(4)6(2)3;1-6(2)5-10-8(9)7(3)4;1-6(2)5-10-7(9)8(3)4;1-4-9-7(8)10-5-6(2)3;1-5(2)4-9-6(8)7-3;1-5(2)4-8-6(3)7;/h4-10H,1-3H3;9-10H,3-8H2,1-2H3;6H,4-5H2,1-3H3;2*7H,6H2,1-5H3;2*6-7H,5H2,1-4H3;6-7H,5H2,1-4H3;6H,5H2,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3,(H,7,8);5H,4H2,1-3H3;1H4.

What are the key properties of cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate?

cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate has a molecular weight of 1882.63 g/mol, XLogP of 25.51, 30 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 2-methylpropyl carbonate;ethyl 3-methylbutan-2-yl carbonate;ethyl 2-methylpropyl carbonate;methane;3-methylbutan-2-yl benzoate;4-methyl-2-methylidene-5-(2-methylpropyl)-1,3-dioxole;2-methylpropyl acetate;2-methylpropyl N,N-dimethylcarbamate;bis(2-methylpropyl 2,2-dimethylpropanoate);2-methylpropyl N-methylcarbamate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propan-2-yl carbonate is sourced from PubChem (CID 161449107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).