butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol

C137H286O36 — CID 158680996

IUPACbutan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol
SMILESCCC(C)(C)C(=O)OCC(C)CO.CCC(C)(C)OC(=O)CC(C)CO.CCC(C)(C)OCC(C)CO.CCC(C)C(=O)OCC(C)CO.CCC(C)OC(=O)CC(C)CO.CCC(C)OCC(C)CO.CCC(O)CC(=O)OC(C)(C)CC.CCC(O)CC(=O)OC(C)CC.CCC(O)COC(=O)C(C)(C)CC.CCC(O)COC(=O)C(C)CC.CCC(O)COC(C)(C)CC.CCC(O)COC(C)CC.CCCCC(=O)OC(C)(C)CC.CCCCOC(C)(C)CC.CCCCOC(C)CC
InChIInChI=1S/4C10H20O3.C10H20O2.4C9H18O3.2C9H20O2.C9H20O.2C8H18O2.C8H18O/c1-5-10(3,4)9(12)13-7-8(2)6-11;1-5-10(3,4)13-9(12)6-8(2)7-11;1-5-8(11)7-13-9(12)10(3,4)6-2;1-5-8(11)7-9(12)13-10(3,4)6-2;1-5-7-8-9(11)12-10(3,4)6-2;1-4-8(3)9(11)12-6-7(2)5-10;1-4-8(3)12-9(11)5-7(2)6-10;1-4-7(3)9(11)12-6-8(10)5-2;1-4-7(3)12-9(11)6-8(10)5-2;1-5-9(3,4)11-7-8(2)6-10;1-5-8(10)7-11-9(3,4)6-2;1-5-7-8-10-9(3,4)6-2;1-4-8(3)10-6-7(2)5-9;1-4-7(3)10-6-8(9)5-2;1-4-6-7-9-8(3)5-2/h4*8,11H,5-7H2,1-4H3;5-8H2,1-4H3;4*7-8,10H,4-6H2,1-3H3;2*8,10H,5-7H2,1-4H3;5-8H2,1-4H3;2*7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyIFCXAPZORMKXCA-UHFFFAOYSA-N
MW2509.76 g/mol
LogP27.62
Rot. Bonds75

About butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol

butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol (PubChem CID 158680996) has the molecular formula C137H286O36 and a molecular weight of 2509.76 g/mol. Its IUPAC name is butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Namebutan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol
PubChem CID158680996
Molecular FormulaC137H286O36
Molecular Weight2509.76 g/mol
Exact Mass2508.05
IUPAC Namebutan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol
SMILESCCC(C)(C)C(=O)OCC(C)CO.CCC(C)(C)OC(=O)CC(C)CO.CCC(C)(C)OCC(C)CO.CCC(C)C(=O)OCC(C)CO.CCC(C)OC(=O)CC(C)CO.CCC(C)OCC(C)CO.CCC(O)CC(=O)OC(C)(C)CC.CCC(O)CC(=O)OC(C)CC.CCC(O)COC(=O)C(C)(C)CC.CCC(O)COC(=O)C(C)CC.CCC(O)COC(C)(C)CC.CCC(O)COC(C)CC.CCCCC(=O)OC(C)(C)CC.CCCCOC(C)(C)CC.CCCCOC(C)CC
InChIInChI=1S/4C10H20O3.C10H20O2.4C9H18O3.2C9H20O2.C9H20O.2C8H18O2.C8H18O/c1-5-10(3,4)9(12)13-7-8(2)6-11;1-5-10(3,4)13-9(12)6-8(2)7-11;1-5-8(11)7-13-9(12)10(3,4)6-2;1-5-8(11)7-9(12)13-10(3,4)6-2;1-5-7-8-9(11)12-10(3,4)6-2;1-4-8(3)9(11)12-6-7(2)5-10;1-4-8(3)12-9(11)5-7(2)6-10;1-4-7(3)9(11)12-6-8(10)5-2;1-4-7(3)12-9(11)6-8(10)5-2;1-5-9(3,4)11-7-8(2)6-10;1-5-8(10)7-11-9(3,4)6-2;1-5-7-8-10-9(3,4)6-2;1-4-8(3)10-6-7(2)5-9;1-4-7(3)10-6-8(9)5-2;1-4-6-7-9-8(3)5-2/h4*8,11H,5-7H2,1-4H3;5-8H2,1-4H3;4*7-8,10H,4-6H2,1-3H3;2*8,10H,5-7H2,1-4H3;5-8H2,1-4H3;2*7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyIFCXAPZORMKXCA-UHFFFAOYSA-N
XLogP27.62
TPSA534.84 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds75
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002509.76
LogP ≤ 527.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;1-O-butan-2-yl 5-O-methyl 3-hydroxypentanedioate;(2-hydroxy-4-methoxy-4-oxobutyl) 2,2-dimethylbutanoate;(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate;methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate;1-O-methyl 5-O-(2-methylbutan-2-yl) 3-hydroxypentanedioate
CID 158218469
4-O-butan-2-yl 1-O-methyl 2-(hydroxymethyl)butanedioate;5-butan-2-yloxy-3-hydroxy-5-oxopentanoic acid;4-(2,2-dimethylbutanoyloxy)-3-hydroxybutanoic acid;3-hydroxy-4-(2-methylbutanoyloxy)butanoic acid;3-hydroxy-5-(2-methylbutan-2-yloxy)-5-oxopentanoic acid;[2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2,2-dimethylbutanoate;bis([2-(hydroxymethyl)-3-methoxy-3-oxopropyl] 2-methylbutanoate);methane;methyl 4-butan-2-yloxy-3-hydroxybutanoate;methyl 2-(butan-2-yloxymethyl)-3-hydroxypropanoate;methyl 3-hydroxy-4-(2-methylbutan-2-yloxy)butanoate;methyl 2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanoate;1-O-methyl 4-O-(2-methylbutan-2-yl) 2-(hydroxymethyl)butanedioate
CID 158535950
butan-2-yl 3,4-dihydroxybutanoate;butan-2-yl 2-(oxiran-2-yl)acetate;3-(butan-2-yloxymethyl)heptane;2-(butan-2-yloxymethyl)oxirane;3-butan-2-yloxypropane-1,2-diol;2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,3-dihydroxypropyl 2-methylbutanoate;2-methylbutan-2-yl 3,4-dihydroxybutanoate;2-methylbutan-2-yl 3-ethylhexanoate;2-methylbutan-2-yl 2-(oxiran-2-yl)acetate;3-(2-methylbutan-2-yloxymethyl)heptane;2-(2-methylbutan-2-yloxymethyl)oxirane;3-(2-methylbutan-2-yloxy)propane-1,2-diol;oxiran-2-ylmethyl 2,2-dimethylbutanoate;oxiran-2-ylmethyl 2-methylbutanoate
CID 158600482
2-aminoethyl 2,2-dimethylbutanoate;2-aminoethyl 2-methylbutanoate;3-aminopropyl 2,2-dimethylbutanoate;3-aminopropyl 2-methylbutanoate;butan-2-yl 4-aminobutanoate;butan-2-yl 3-aminopropanoate;butan-2-yl 3-hydroxypropanoate;2-butan-2-yloxyethanamine;2-butan-2-yloxyethanol;3-butan-2-yloxypropan-1-amine;2-hydroxyethyl 2,2-dimethylbutanoate;2-hydroxyethyl 2-methylbutanoate;2-methylbutan-2-yl 4-aminobutanoate;2-methylbutan-2-yl 3-aminopropanoate;2-methylbutan-2-yl 3-hydroxypropanoate;2-(2-methylbutan-2-yloxy)ethanamine;2-(2-methylbutan-2-yloxy)ethanol;3-(2-methylbutan-2-yloxy)propan-1-amine
CID 158027835
2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;2-hexan-2-yloxyethyl 2-methylbutanoate;methyl 2,2-dimethylbutanoate
CID 157369434
2,3-dihydroxypropyl 2,2-dimethylbutanoate;2,2-dimethylbutanoic acid;2-heptan-3-yloxyethyl 2-methylbutanoate;methyl 2,2-dimethylbutanoate
CID 159079302
N-acetyl-2-(butan-2-yloxymethyl)-3-hydroxypropanamide;N-acetyl-2-(hydroxymethyl)-3-(2-methylbutan-2-yloxy)propanamide;butan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;butan-2-yl N-carbamoylcarbamate;1-butan-2-yloxy-3-methylurea;(carbamoylamino) 2,2-dimethylbutanoate;(carbamoylamino) 2-methylbutanoate;methane;2-methylbutan-2-yl 4-acetamido-3-(hydroxymethyl)-4-oxobutanoate;2-methylbutan-2-yl N-carbamoylcarbamate;(methylcarbamoylamino)methyl 2,2-dimethylbutanoate;(methylcarbamoylamino)methyl 2-methylbutanoate;1-methyl-3-(2-methylbutan-2-yloxy)urea
CID 157171510
butan-2-yl propanoate;butyl propanoate;ethyl propanoate;2-methylbutan-2-yl propanoate;propyl propanoate
CID 158534261
acetamido 2,2-dimethylbutanoate;acetamido 2-methylbutanoate;acetamidomethyl 2,2-dimethylbutanoate;acetamidomethyl 2-methylbutanoate;butan-2-yl 2-acetamidoacetate;butan-2-yl N-acetylcarbamate;N-butan-2-yloxyacetamide;N-(butan-2-yloxymethyl)acetamide;2-(butan-2-yloxymethyl)-3-hydroxy-N-methylpropanamide;2-(hydroxymethyl)-N-methyl-3-(2-methylbutan-2-yloxy)propanamide;2-methylbutan-2-yl 2-acetamidoacetate;2-methylbutan-2-yl N-acetylcarbamate;2-methylbutan-2-yl 3-(hydroxymethyl)-4-(methylamino)-4-oxobutanoate;N-(2-methylbutan-2-yloxy)acetamide;N-(2-methylbutan-2-yloxymethyl)acetamide
CID 162221659
butan-2-yl 3-hydroxynonanoate
CID 3021445
6-O-(2-methylbutan-2-yl) 1-O-[2-(2-methylbutan-2-yloxy)ethyl] hexanedioate
CID 88904975
[3-(2,3-dihydroxypropanoyloxy)-2-hydroxypropyl] 2,2-dimethylbutanoate
CID 155624591

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol?
The IUPAC name of butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol (CID 158680996) is butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol.
What is the SMILES notation for butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol?
The canonical SMILES for butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol is CCC(C)(C)C(=O)OCC(C)CO.CCC(C)(C)OC(=O)CC(C)CO.CCC(C)(C)OCC(C)CO.CCC(C)C(=O)OCC(C)CO.CCC(C)OC(=O)CC(C)CO.CCC(C)OCC(C)CO.CCC(O)CC(=O)OC(C)(C)CC.CCC(O)CC(=O)OC(C)CC.CCC(O)COC(=O)C(C)(C)CC.CCC(O)COC(=O)C(C)CC.CCC(O)COC(C)(C)CC.CCC(O)COC(C)CC.CCCCC(=O)OC(C)(C)CC.CCCCOC(C)(C)CC.CCCCOC(C)CC.
What is the InChIKey of butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol?
The InChIKey is IFCXAPZORMKXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H20O3.C10H20O2.4C9H18O3.2C9H20O2.C9H20O.2C8H18O2.C8H18O/c1-5-10(3,4)9(12)13-7-8(2)6-11;1-5-10(3,4)13-9(12)6-8(2)7-11;1-5-8(11)7-13-9(12)10(3,4)6-2;1-5-8(11)7-9(12)13-10(3,4)6-2;1-5-7-8-9(11)12-10(3,4)6-2;1-4-8(3)9(11)12-6-7(2)5-10;1-4-8(3)12-9(11)5-7(2)6-10;1-4-7(3)9(11)12-6-8(10)5-2;1-4-7(3)12-9(11)6-8(10)5-2;1-5-9(3,4)11-7-8(2)6-10;1-5-8(10)7-11-9(3,4)6-2;1-5-7-8-10-9(3,4)6-2;1-4-8(3)10-6-7(2)5-9;1-4-7(3)10-6-8(9)5-2;1-4-6-7-9-8(3)5-2/h4*8,11H,5-7H2,1-4H3;5-8H2,1-4H3;4*7-8,10H,4-6H2,1-3H3;2*8,10H,5-7H2,1-4H3;5-8H2,1-4H3;2*7-9H,4-6H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol?
butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol has a molecular weight of 2509.76 g/mol, XLogP of 27.62, 75 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-hydroxy-3-methylbutanoate;butan-2-yl 3-hydroxypentanoate;1-butan-2-yloxybutane;1-butan-2-yloxybutan-2-ol;3-butan-2-yloxy-2-methylpropan-1-ol;2-butoxy-2-methylbutane;2-hydroxybutyl 2,2-dimethylbutanoate;2-hydroxybutyl 2-methylbutanoate;(3-hydroxy-2-methylpropyl) 2,2-dimethylbutanoate;(3-hydroxy-2-methylpropyl) 2-methylbutanoate;2-methylbutan-2-yl 4-hydroxy-3-methylbutanoate;2-methylbutan-2-yl 3-hydroxypentanoate;1-(2-methylbutan-2-yloxy)butan-2-ol;2-methylbutan-2-yl pentanoate;2-methyl-3-(2-methylbutan-2-yloxy)propan-1-ol is sourced from PubChem (CID 158680996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).