3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate

C218H422O34 — CID 159731004

IUPAC3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate
SMILESCC(C)C(=O)OC(C)C(C)C.CC(C)C(C)OC(=O)C(C)(C)C.CC(C)C(C)OC(=O)C(C)(C)c1ccccc1.CC(C)C(C)OC(=O)C1(C)CCCC1.CC(C)C(C)OC(=O)C1CCCC1.CC(C)C(C)OC(=O)C1CCCCC1.CCC(C)(C)C(=O)OC(C)C(C)C.CCC(C)C(=O)OC(C)C(C)C.CCC(CC)C(=O)OC(C)C(C)C.CCCC(C)(C)C(=O)OC(C)C(C)C.CCCC(C)C(=O)OC(C)C(C)C.CCCC(CCC)C(=O)OC(C)C(C)C.CCCCC(C)(C)C(=O)OC(C)C(C)C.CCCCC(C)C(=O)OC(C)C(C)C.CCCCCC(C)(C)C(=O)OC(C)C(C)C.CCCCCCC(CCCCCC)C(=O)OC(C)C(C)C.CCCCCCCCC(CCCCCCCC)C(=O)OC(C)C(C)C
InChIInChI=1S/C23H46O2.C19H38O2.C15H22O2.C14H28O2.2C13H26O2.2C12H22O2.2C12H24O2.C11H20O2.3C11H22O2.2C10H20O2.C9H18O2/c1-6-8-10-12-14-16-18-22(19-17-15-13-11-9-7-2)23(24)25-21(5)20(3)4;1-6-8-10-12-14-18(15-13-11-9-7-2)19(20)21-17(5)16(3)4;1-11(2)12(3)17-14(16)15(4,5)13-9-7-6-8-10-13;1-7-8-9-10-14(5,6)13(15)16-12(4)11(2)3;1-7-8-9-13(5,6)12(14)15-11(4)10(2)3;1-6-8-12(9-7-2)13(14)15-11(5)10(3)4;1-9(2)10(3)14-11(13)12(4)7-5-6-8-12;1-9(2)10(3)14-12(13)11-7-5-4-6-8-11;1-7-8-12(5,6)11(13)14-10(4)9(2)3;1-6-7-8-10(4)12(13)14-11(5)9(2)3;1-8(2)9(3)13-11(12)10-6-4-5-7-10;1-7-11(5,6)10(12)13-9(4)8(2)3;1-6-7-9(4)11(12)13-10(5)8(2)3;1-6-10(7-2)11(12)13-9(5)8(3)4;1-7(2)8(3)12-9(11)10(4,5)6;1-6-8(4)10(11)12-9(5)7(2)3;1-6(2)8(5)11-9(10)7(3)4/h20-22H,6-19H2,1-5H3;16-18H,6-15H2,1-5H3;6-12H,1-5H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;10-12H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;9-10H,7-8H2,1-6H3;9-11H,6-8H2,1-5H3;8-10H,4-7H2,1-3H3;8-9H,7H2,1-6H3;2*8-10H,6-7H2,1-5H3;7-8H,1-6H3;7-9H,6H2,1-5H3;6-8H,1-5H3
InChIKeyNBFSNVSSOLITJH-UHFFFAOYSA-N
MW3587.74 g/mol
LogP61.51
Rot. Bonds97

About 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate

3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate (PubChem CID 159731004) has the molecular formula C218H422O34 and a molecular weight of 3587.74 g/mol. Its IUPAC name is 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate.

Molecular Properties

Compound Name3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate
PubChem CID159731004
Molecular FormulaC218H422O34
Molecular Weight3587.74 g/mol
Exact Mass3585.13
IUPAC Name3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate
SMILESCC(C)C(=O)OC(C)C(C)C.CC(C)C(C)OC(=O)C(C)(C)C.CC(C)C(C)OC(=O)C(C)(C)c1ccccc1.CC(C)C(C)OC(=O)C1(C)CCCC1.CC(C)C(C)OC(=O)C1CCCC1.CC(C)C(C)OC(=O)C1CCCCC1.CCC(C)(C)C(=O)OC(C)C(C)C.CCC(C)C(=O)OC(C)C(C)C.CCC(CC)C(=O)OC(C)C(C)C.CCCC(C)(C)C(=O)OC(C)C(C)C.CCCC(C)C(=O)OC(C)C(C)C.CCCC(CCC)C(=O)OC(C)C(C)C.CCCCC(C)(C)C(=O)OC(C)C(C)C.CCCCC(C)C(=O)OC(C)C(C)C.CCCCCC(C)(C)C(=O)OC(C)C(C)C.CCCCCCC(CCCCCC)C(=O)OC(C)C(C)C.CCCCCCCCC(CCCCCCCC)C(=O)OC(C)C(C)C
InChIInChI=1S/C23H46O2.C19H38O2.C15H22O2.C14H28O2.2C13H26O2.2C12H22O2.2C12H24O2.C11H20O2.3C11H22O2.2C10H20O2.C9H18O2/c1-6-8-10-12-14-16-18-22(19-17-15-13-11-9-7-2)23(24)25-21(5)20(3)4;1-6-8-10-12-14-18(15-13-11-9-7-2)19(20)21-17(5)16(3)4;1-11(2)12(3)17-14(16)15(4,5)13-9-7-6-8-10-13;1-7-8-9-10-14(5,6)13(15)16-12(4)11(2)3;1-7-8-9-13(5,6)12(14)15-11(4)10(2)3;1-6-8-12(9-7-2)13(14)15-11(5)10(3)4;1-9(2)10(3)14-11(13)12(4)7-5-6-8-12;1-9(2)10(3)14-12(13)11-7-5-4-6-8-11;1-7-8-12(5,6)11(13)14-10(4)9(2)3;1-6-7-8-10(4)12(13)14-11(5)9(2)3;1-8(2)9(3)13-11(12)10-6-4-5-7-10;1-7-11(5,6)10(12)13-9(4)8(2)3;1-6-7-9(4)11(12)13-10(5)8(2)3;1-6-10(7-2)11(12)13-9(5)8(3)4;1-7(2)8(3)12-9(11)10(4,5)6;1-6-8(4)10(11)12-9(5)7(2)3;1-6(2)8(5)11-9(10)7(3)4/h20-22H,6-19H2,1-5H3;16-18H,6-15H2,1-5H3;6-12H,1-5H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;10-12H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;9-10H,7-8H2,1-6H3;9-11H,6-8H2,1-5H3;8-10H,4-7H2,1-3H3;8-9H,7H2,1-6H3;2*8-10H,6-7H2,1-5H3;7-8H,1-6H3;7-9H,6H2,1-5H3;6-8H,1-5H3
InChIKeyNBFSNVSSOLITJH-UHFFFAOYSA-N
XLogP61.51
TPSA447.10 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds97
Heavy Atoms252
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003587.74
LogP ≤ 561.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

[cyclohexyl(phenyl)methyl] 2,2-dimethylbutanoate;[cyclohexyl(phenyl)methyl] 2-methylbutanoate;[cyclopentyl(phenyl)methyl] 2,2-dimethylbutanoate;[cyclopentyl(phenyl)methyl] 2-methylbutanoate;(2-methyl-1-phenylpropyl) 2,2-dimethylbutanoate;(2-methyl-1-phenylpropyl) 2-methylbutanoate;1-phenylbutyl 2,2-dimethylbutanoate;1-phenylbutyl 2-methylbutanoate
CID 161278693
[(2S)-3-methylbutan-2-yl] 2-methyl-2-phenylpropanoate
CID 118311634
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
1-phenylethenoxymethylsilane;silylmethyl acetate;silylmethyl cyclohexanecarboxylate;silylmethyl cyclopentanecarboxylate;silylmethyl 2,2-dimethylpropanoate;silylmethyl 2-methylbutanoate;silylmethyl 2-methylpropanoate;silylmethyl propanoate
CID 165068596
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-2-phenylpropanoate
CID 8954502
1-phenylethyl 2-butyloctanoate
CID 129279140
[2-(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy-7-azaspiro[3.5]nonan-3-yl] 2-ethyloctanoate
CID 175036057
1-chlorohexadecyl cyclohexanecarboxylate
CID 172567002
1-phenylethyl 2-methyloctanoate
CID 121241177
1-phenylpentyl 2-octyldecanoate
CID 129279318
1-phenylpentyl 2-hexyloctanoate
CID 129279315
benzyl 2-propyldecanoate
CID 175305414

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate?
The IUPAC name of 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate (CID 159731004) is 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate.
What is the SMILES notation for 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate?
The canonical SMILES for 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate is 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)C(C)(C)c1ccccc1.CC(C)C(C)OC(=O)C1(C)CCCC1.CC(C)C(C)OC(=O)C1CCCC1.CC(C)C(C)OC(=O)C1CCCCC1.CCC(C)(C)C(=O)OC(C)C(C)C.CCC(C)C(=O)OC(C)C(C)C.CCC(CC)C(=O)OC(C)C(C)C.CCCC(C)(C)C(=O)OC(C)C(C)C.CCCC(C)C(=O)OC(C)C(C)C.CCCC(CCC)C(=O)OC(C)C(C)C.CCCCC(C)(C)C(=O)OC(C)C(C)C.CCCCC(C)C(=O)OC(C)C(C)C.CCCCCC(C)(C)C(=O)OC(C)C(C)C.CCCCCCC(CCCCCC)C(=O)OC(C)C(C)C.CCCCCCCCC(CCCCCCCC)C(=O)OC(C)C(C)C.
What is the InChIKey of 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate?
The InChIKey is NBFSNVSSOLITJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O2.C19H38O2.C15H22O2.C14H28O2.2C13H26O2.2C12H22O2.2C12H24O2.C11H20O2.3C11H22O2.2C10H20O2.C9H18O2/c1-6-8-10-12-14-16-18-22(19-17-15-13-11-9-7-2)23(24)25-21(5)20(3)4;1-6-8-10-12-14-18(15-13-11-9-7-2)19(20)21-17(5)16(3)4;1-11(2)12(3)17-14(16)15(4,5)13-9-7-6-8-10-13;1-7-8-9-10-14(5,6)13(15)16-12(4)11(2)3;1-7-8-9-13(5,6)12(14)15-11(4)10(2)3;1-6-8-12(9-7-2)13(14)15-11(5)10(3)4;1-9(2)10(3)14-11(13)12(4)7-5-6-8-12;1-9(2)10(3)14-12(13)11-7-5-4-6-8-11;1-7-8-12(5,6)11(13)14-10(4)9(2)3;1-6-7-8-10(4)12(13)14-11(5)9(2)3;1-8(2)9(3)13-11(12)10-6-4-5-7-10;1-7-11(5,6)10(12)13-9(4)8(2)3;1-6-7-9(4)11(12)13-10(5)8(2)3;1-6-10(7-2)11(12)13-9(5)8(3)4;1-7(2)8(3)12-9(11)10(4,5)6;1-6-8(4)10(11)12-9(5)7(2)3;1-6(2)8(5)11-9(10)7(3)4/h20-22H,6-19H2,1-5H3;16-18H,6-15H2,1-5H3;6-12H,1-5H3;11-12H,7-10H2,1-6H3;10-11H,7-9H2,1-6H3;10-12H,6-9H2,1-5H3;9-10H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;9-10H,7-8H2,1-6H3;9-11H,6-8H2,1-5H3;8-10H,4-7H2,1-3H3;8-9H,7H2,1-6H3;2*8-10H,6-7H2,1-5H3;7-8H,1-6H3;7-9H,6H2,1-5H3;6-8H,1-5H3.
What are the key properties of 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate?
3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate has a molecular weight of 3587.74 g/mol, XLogP of 61.51, 97 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-yl cyclohexanecarboxylate;3-methylbutan-2-yl cyclopentanecarboxylate;3-methylbutan-2-yl 2,2-dimethylbutanoate;3-methylbutan-2-yl 2,2-dimethylheptanoate;3-methylbutan-2-yl 2,2-dimethylhexanoate;3-methylbutan-2-yl 2,2-dimethylpentanoate;3-methylbutan-2-yl 2,2-dimethylpropanoate;3-methylbutan-2-yl 2-ethylbutanoate;3-methylbutan-2-yl 2-hexyloctanoate;3-methylbutan-2-yl 2-methylbutanoate;3-methylbutan-2-yl 1-methylcyclopentane-1-carboxylate;3-methylbutan-2-yl 2-methylhexanoate;3-methylbutan-2-yl 2-methylpentanoate;3-methylbutan-2-yl 2-methyl-2-phenylpropanoate;3-methylbutan-2-yl 2-methylpropanoate;3-methylbutan-2-yl 2-octyldecanoate;3-methylbutan-2-yl 2-propylpentanoate is sourced from PubChem (CID 159731004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).