ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate

C145H274O14 — CID 159382627

About ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate

ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate (PubChem CID 159382627) has the molecular formula C145H274O14 and a molecular weight of 2241.77 g/mol. Its IUPAC name is ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate
• PubChem CID: 159382627
• Molecular Formula: C145H274O14
• Molecular Weight: 2241.77 g/mol
• Exact Mass: 2240.07
• IUPAC Name: ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CCC(C)(C)C(=O)OC(C)(C)C12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC4C5CC(CC41)CC2C5C3.CCC(C)(C)C(=O)OC(C)OC12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OC(C)OC12CC3CC4C5CC(CC41)CC2C5C3.CCC(C)(C)C(=O)OC1(C)C2CC3C4CC5CC3C1C(C5)C4C2.CCCC(C)(C)OC(=O)C(C)(C)CC
• InChI: InChI=1S/2C23H36O2.2C22H34O3.C21H32O2.C12H24O2.5C2H6.12CH4/c1-6-21(2,3)20(24)25-22(4,5)23-12-14-8-16-15-7-13(10-18(16)23)11-19(23)17(15)9-14;1-6-21(2,3)20(24)25-22(4,5)23-10-17-14-7-13-8-15(17)19(12-23)16(9-13)18(14)11-23;1-5-21(3,4)20(23)24-12(2)25-22-11-14-7-16-15-6-13(9-18(16)22)10-19(22)17(15)8-14;1-5-21(3,4)20(23)24-12(2)25-22-9-17-14-6-13-7-15(17)19(11-22)16(8-13)18(14)10-22;1-5-20(2,3)19(22)23-21(4)12-9-14-13-6-11-7-16(14)18(21)17(8-11)15(13)10-12;1-7-9-12(5,6)14-10(13)11(3,4)8-2;5*1-2;;;;;;;;;;;;/h2*13-19H,6-12H2,1-5H3;2*12-19H,5-11H2,1-4H3;11-18H,5-10H2,1-4H3;7-9H2,1-6H3;5*1-2H3;12*1H4
• InChIKey: LLCKKRSCRUUDLT-UHFFFAOYSA-N
• XLogP: 41.47
• TPSA: 176.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2241.77
LogP ≤ 5	41.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate?

The IUPAC name of ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate (CID 159382627) is ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate.

What is the SMILES notation for ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate?

The canonical SMILES for ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC.CCC(C)(C)C(=O)OC(C)(C)C12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OC(C)(C)C12CC3CC4C5CC(CC41)CC2C5C3.CCC(C)(C)C(=O)OC(C)OC12CC3C4CC5CC3C(C1)C(C5)C4C2.CCC(C)(C)C(=O)OC(C)OC12CC3CC4C5CC(CC41)CC2C5C3.CCC(C)(C)C(=O)OC1(C)C2CC3C4CC5CC3C1C(C5)C4C2.CCCC(C)(C)OC(=O)C(C)(C)CC.

What is the InChIKey of ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate?

The InChIKey is LLCKKRSCRUUDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H36O2.2C22H34O3.C21H32O2.C12H24O2.5C2H6.12CH4/c1-6-21(2,3)20(24)25-22(4,5)23-12-14-8-16-15-7-13(10-18(16)23)11-19(23)17(15)9-14;1-6-21(2,3)20(24)25-22(4,5)23-10-17-14-7-13-8-15(17)19(12-23)16(9-13)18(14)11-23;1-5-21(3,4)20(23)24-12(2)25-22-11-14-7-16-15-6-13(9-18(16)22)10-19(22)17(15)8-14;1-5-21(3,4)20(23)24-12(2)25-22-9-17-14-6-13-7-15(17)19(11-22)16(8-13)18(14)10-22;1-5-20(2,3)19(22)23-21(4)12-9-14-13-6-11-7-16(14)18(21)17(8-11)15(13)10-12;1-7-9-12(5,6)14-10(13)11(3,4)8-2;5*1-2;;;;;;;;;;;;/h2*13-19H,6-12H2,1-5H3;2*12-19H,5-11H2,1-4H3;11-18H,5-10H2,1-4H3;7-9H2,1-6H3;5*1-2H3;12*1H4.

What are the key properties of ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate?

ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate has a molecular weight of 2241.77 g/mol, XLogP of 41.47, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;(3-methyl-3-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl) 2,2-dimethylbutanoate;2-methylpentan-2-yl 2,2-dimethylbutanoate;1-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;1-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyloxy)ethyl 2,2-dimethylbutanoate;2-(1-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate;2-(4-pentacyclo[7.3.1.14,12.02,7.06,11]tetradecanyl)propan-2-yl 2,2-dimethylbutanoate is sourced from PubChem (CID 159382627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).