2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate

C217H410O44 — CID 159820169

IUPAC2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate
SMILESCC(=O)OC(C(C)C)C(C)C.CC(=O)OC(C)C(C)C.CC(=O)OCC(C)C.CC(C)C(=O)OC(C(C)C)C(C)C.CC(C)C(=O)OC(C)C(C)C.CC(C)C(C)OC(=O)C(C)(C)C.CC(C)C(C)OC(=O)C1CCCCC1.CC(C)C(C)OC(=O)c1ccccc1.CC(C)C(OC(=O)C(C)(C)C)C(C)C.CC(C)C(OC(=O)C1CCCCC1)C(C)C.CC(C)COC(=O)C(C)(C)C.CC(C)COC(=O)C(C)C.CC(C)COC(=O)C1CCCCC1.CC(C)COC(=O)c1ccccc1.CCC(=O)OC(C(C)C)C(C)C.CCC(=O)OC(C)C(C)C.CCC(=O)OC(CC)C(C)C.CCC(=O)OCC(C)C.CCC(OC(=O)C(C)(C)C)C(C)C.CCC(OC(=O)C(C)C)C(C)C.CCC(OC(=O)C1CCCCC1)C(C)C.CCC(OC(C)=O)C(C)C
InChIInChI=1S/C14H26O2.C13H24O2.C12H22O2.C12H16O2.C12H24O2.C11H20O2.C11H14O2.2C11H22O2.3C10H20O2.4C9H18O2.3C8H16O2.2C7H14O2.C6H12O2/c1-10(2)13(11(3)4)16-14(15)12-8-6-5-7-9-12;1-4-12(10(2)3)15-13(14)11-8-6-5-7-9-11;2*1-9(2)10(3)14-12(13)11-7-5-4-6-8-11;1-8(2)10(9(3)4)14-11(13)12(5,6)7;2*1-9(2)8-13-11(12)10-6-4-3-5-7-10;1-7-9(8(2)3)13-10(12)11(4,5)6;1-7(2)10(8(3)4)13-11(12)9(5)6;1-7(2)8(3)12-9(11)10(4,5)6;1-6-9(11)12-10(7(2)3)8(4)5;1-6-9(7(2)3)12-10(11)8(4)5;1-7(2)6-11-8(10)9(3,4)5;1-6(2)9(7(3)4)11-8(5)10;1-6(2)8(5)11-9(10)7(3)4;1-5-8(7(3)4)11-9(10)6-2;1-6(2)5-10-8(9)7(3)4;1-5-8(6(2)3)10-7(4)9;1-5-8(9)10-7(4)6(2)3;1-5(2)6(3)9-7(4)8;1-4-7(8)9-5-6(2)3;1-5(2)4-8-6(3)7/h10-13H,5-9H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;4-10H,1-3H3;8-10H,1-7H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;8-9H,7H2,1-6H3;7-10H,1-6H3;7-8H,1-6H3;7-8,10H,6H2,1-5H3;7-9H,6H2,1-5H3;7H,6H2,1-5H3;6-7,9H,1-5H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;6,8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3
InChIKeyNMDAYFDTQGUUEU-UHFFFAOYSA-N
MW3723.62 g/mol
LogP54.91
Rot. Bonds68

About 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate

2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate (PubChem CID 159820169) has the molecular formula C217H410O44 and a molecular weight of 3723.62 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate
PubChem CID159820169
Molecular FormulaC217H410O44
Molecular Weight3723.62 g/mol
Exact Mass3720.98
IUPAC Name2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate
SMILESCC(=O)OC(C(C)C)C(C)C.CC(=O)OC(C)C(C)C.CC(=O)OCC(C)C.CC(C)C(=O)OC(C(C)C)C(C)C.CC(C)C(=O)OC(C)C(C)C.CC(C)C(C)OC(=O)C(C)(C)C.CC(C)C(C)OC(=O)C1CCCCC1.CC(C)C(C)OC(=O)c1ccccc1.CC(C)C(OC(=O)C(C)(C)C)C(C)C.CC(C)C(OC(=O)C1CCCCC1)C(C)C.CC(C)COC(=O)C(C)(C)C.CC(C)COC(=O)C(C)C.CC(C)COC(=O)C1CCCCC1.CC(C)COC(=O)c1ccccc1.CCC(=O)OC(C(C)C)C(C)C.CCC(=O)OC(C)C(C)C.CCC(=O)OC(CC)C(C)C.CCC(=O)OCC(C)C.CCC(OC(=O)C(C)(C)C)C(C)C.CCC(OC(=O)C(C)C)C(C)C.CCC(OC(=O)C1CCCCC1)C(C)C.CCC(OC(C)=O)C(C)C
InChIInChI=1S/C14H26O2.C13H24O2.C12H22O2.C12H16O2.C12H24O2.C11H20O2.C11H14O2.2C11H22O2.3C10H20O2.4C9H18O2.3C8H16O2.2C7H14O2.C6H12O2/c1-10(2)13(11(3)4)16-14(15)12-8-6-5-7-9-12;1-4-12(10(2)3)15-13(14)11-8-6-5-7-9-11;2*1-9(2)10(3)14-12(13)11-7-5-4-6-8-11;1-8(2)10(9(3)4)14-11(13)12(5,6)7;2*1-9(2)8-13-11(12)10-6-4-3-5-7-10;1-7-9(8(2)3)13-10(12)11(4,5)6;1-7(2)10(8(3)4)13-11(12)9(5)6;1-7(2)8(3)12-9(11)10(4,5)6;1-6-9(11)12-10(7(2)3)8(4)5;1-6-9(7(2)3)12-10(11)8(4)5;1-7(2)6-11-8(10)9(3,4)5;1-6(2)9(7(3)4)11-8(5)10;1-6(2)8(5)11-9(10)7(3)4;1-5-8(7(3)4)11-9(10)6-2;1-6(2)5-10-8(9)7(3)4;1-5-8(6(2)3)10-7(4)9;1-5-8(9)10-7(4)6(2)3;1-5(2)6(3)9-7(4)8;1-4-7(8)9-5-6(2)3;1-5(2)4-8-6(3)7/h10-13H,5-9H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;4-10H,1-3H3;8-10H,1-7H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;8-9H,7H2,1-6H3;7-10H,1-6H3;7-8H,1-6H3;7-8,10H,6H2,1-5H3;7-9H,6H2,1-5H3;7H,6H2,1-5H3;6-7,9H,1-5H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;6,8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3
InChIKeyNMDAYFDTQGUUEU-UHFFFAOYSA-N
XLogP54.91
TPSA578.60 Ų
H-Bond Donors
H-Bond Acceptors44
Rotatable Bonds68
Heavy Atoms261
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003723.62
LogP ≤ 554.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

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

Analyze 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate?
The IUPAC name of 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate (CID 159820169) is 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate?
The canonical SMILES for 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate is CC(=O)OC(C(C)C)C(C)C.CC(=O)OC(C)C(C)C.CC(=O)OCC(C)C.CC(C)C(=O)OC(C(C)C)C(C)C.CC(C)C(=O)OC(C)C(C)C.CC(C)C(C)OC(=O)C(C)(C)C.CC(C)C(C)OC(=O)C1CCCCC1.CC(C)C(C)OC(=O)c1ccccc1.CC(C)C(OC(=O)C(C)(C)C)C(C)C.CC(C)C(OC(=O)C1CCCCC1)C(C)C.CC(C)COC(=O)C(C)(C)C.CC(C)COC(=O)C(C)C.CC(C)COC(=O)C1CCCCC1.CC(C)COC(=O)c1ccccc1.CCC(=O)OC(C(C)C)C(C)C.CCC(=O)OC(C)C(C)C.CCC(=O)OC(CC)C(C)C.CCC(=O)OCC(C)C.CCC(OC(=O)C(C)(C)C)C(C)C.CCC(OC(=O)C(C)C)C(C)C.CCC(OC(=O)C1CCCCC1)C(C)C.CCC(OC(C)=O)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate?
The InChIKey is NMDAYFDTQGUUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2.C13H24O2.C12H22O2.C12H16O2.C12H24O2.C11H20O2.C11H14O2.2C11H22O2.3C10H20O2.4C9H18O2.3C8H16O2.2C7H14O2.C6H12O2/c1-10(2)13(11(3)4)16-14(15)12-8-6-5-7-9-12;1-4-12(10(2)3)15-13(14)11-8-6-5-7-9-11;2*1-9(2)10(3)14-12(13)11-7-5-4-6-8-11;1-8(2)10(9(3)4)14-11(13)12(5,6)7;2*1-9(2)8-13-11(12)10-6-4-3-5-7-10;1-7-9(8(2)3)13-10(12)11(4,5)6;1-7(2)10(8(3)4)13-11(12)9(5)6;1-7(2)8(3)12-9(11)10(4,5)6;1-6-9(11)12-10(7(2)3)8(4)5;1-6-9(7(2)3)12-10(11)8(4)5;1-7(2)6-11-8(10)9(3,4)5;1-6(2)9(7(3)4)11-8(5)10;1-6(2)8(5)11-9(10)7(3)4;1-5-8(7(3)4)11-9(10)6-2;1-6(2)5-10-8(9)7(3)4;1-5-8(6(2)3)10-7(4)9;1-5-8(9)10-7(4)6(2)3;1-5(2)6(3)9-7(4)8;1-4-7(8)9-5-6(2)3;1-5(2)4-8-6(3)7/h10-13H,5-9H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;4-10H,1-3H3;8-10H,1-7H3;9-10H,3-8H2,1-2H3;3-7,9H,8H2,1-2H3;8-9H,7H2,1-6H3;7-10H,1-6H3;7-8H,1-6H3;7-8,10H,6H2,1-5H3;7-9H,6H2,1-5H3;7H,6H2,1-5H3;6-7,9H,1-5H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;6-7H,5H2,1-4H3;6,8H,5H2,1-4H3;6-7H,5H2,1-4H3;5-6H,1-4H3;6H,4-5H2,1-3H3;5H,4H2,1-3H3.
What are the key properties of 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate?
2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate has a molecular weight of 3723.62 g/mol, XLogP of 54.91, 68 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl acetate;2,4-dimethylpentan-3-yl cyclohexanecarboxylate;2,4-dimethylpentan-3-yl 2,2-dimethylpropanoate;2,4-dimethylpentan-3-yl 2-methylpropanoate;2,4-dimethylpentan-3-yl propanoate;3-methylbutan-2-yl acetate;3-methylbutan-2-yl benzoate;3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl propanoate;2-methylpentan-3-yl acetate;2-methylpentan-3-yl cyclohexanecarboxylate;2-methylpentan-3-yl 2,2-dimethylpropanoate;2-methylpentan-3-yl 2-methylpropanoate;2-methylpentan-3-yl propanoate;2-methylpropyl acetate;2-methylpropyl benzoate;2-methylpropyl cyclohexanecarboxylate;2-methylpropyl 2,2-dimethylpropanoate;2-methylpropyl 2-methylpropanoate;2-methylpropyl propanoate is sourced from PubChem (CID 159820169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).