butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate

C73H144O27 — CID 162001720

IUPACbutyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)OC1CCCC1.CC(C)CC(C)OC(=O)C(C)(C)O.CC(C)CCOC(=O)C(C)(C)O.CC(C)COC(=O)C(C)(C)O.CC(C)OC(=O)C(C)(C)O.CCC(C)COC(=O)C(C)(C)O.CCCCOC(=O)C(C)(C)O.CCCOC(=O)C(C)(C)O.CCOC(=O)C(C)(C)O
InChIInChI=1S/C10H20O3.C9H16O3.2C9H18O3.2C8H16O3.2C7H14O3.C6H12O3/c1-7(2)6-8(3)13-9(11)10(4,5)12;1-9(2,11)8(10)12-7-5-3-4-6-7;1-7(2)5-6-12-8(10)9(3,4)11;1-5-7(2)6-12-8(10)9(3,4)11;1-6(2)5-11-7(9)8(3,4)10;1-4-5-6-11-7(9)8(2,3)10;1-5(2)10-6(8)7(3,4)9;1-4-5-10-6(8)7(2,3)9;1-4-9-5(7)6(2,3)8/h7-8,12H,6H2,1-5H3;7,11H,3-6H2,1-2H3;2*7,11H,5-6H2,1-4H3;6,10H,5H2,1-4H3;10H,4-6H2,1-3H3;5,9H,1-4H3;9H,4-5H2,1-3H3;8H,4H2,1-3H3
InChIKeyYSHNINBWGYCSLL-UHFFFAOYSA-N
MW1453.93 g/mol
LogP9.47
Rot. Bonds28

About butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate

butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate (PubChem CID 162001720) has the molecular formula C73H144O27 and a molecular weight of 1453.93 g/mol. Its IUPAC name is butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namebutyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate
PubChem CID162001720
Molecular FormulaC73H144O27
Molecular Weight1453.93 g/mol
Exact Mass1452.99
IUPAC Namebutyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)OC1CCCC1.CC(C)CC(C)OC(=O)C(C)(C)O.CC(C)CCOC(=O)C(C)(C)O.CC(C)COC(=O)C(C)(C)O.CC(C)OC(=O)C(C)(C)O.CCC(C)COC(=O)C(C)(C)O.CCCCOC(=O)C(C)(C)O.CCCOC(=O)C(C)(C)O.CCOC(=O)C(C)(C)O
InChIInChI=1S/C10H20O3.C9H16O3.2C9H18O3.2C8H16O3.2C7H14O3.C6H12O3/c1-7(2)6-8(3)13-9(11)10(4,5)12;1-9(2,11)8(10)12-7-5-3-4-6-7;1-7(2)5-6-12-8(10)9(3,4)11;1-5-7(2)6-12-8(10)9(3,4)11;1-6(2)5-11-7(9)8(3,4)10;1-4-5-6-11-7(9)8(2,3)10;1-5(2)10-6(8)7(3,4)9;1-4-5-10-6(8)7(2,3)9;1-4-9-5(7)6(2,3)8/h7-8,12H,6H2,1-5H3;7,11H,3-6H2,1-2H3;2*7,11H,5-6H2,1-4H3;6,10H,5H2,1-4H3;10H,4-6H2,1-3H3;5,9H,1-4H3;9H,4-5H2,1-3H3;8H,4H2,1-3H3
InChIKeyYSHNINBWGYCSLL-UHFFFAOYSA-N
XLogP9.47
TPSA418.77 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001453.93
LogP ≤ 59.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate with MolForge

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Related Compounds

butan-2-yl 2-methyl-2-(2-methylpropanoyloxy)propanoate;butyl 2-methyl-2-(2-methylpropanoyloxy)propanoate;cyclopentyl 2-methyl-2-(2-methylpropanoyloxy)propanoate;cyclopropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate;ethyl 2-methyl-2-(2-methylpropanoyloxy)propanoate;3-methylbutyl 2-methyl-2-(2-methylpropanoyloxy)propanoate;methyl 2-methyl-2-(2-methylpropanoyloxy)propanoate;2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate;octan-2-yl 2-methyl-2-(2-methylpropanoyloxy)propanoate;propan-2-yl 2-methyl-2-(2-methylpropanoyloxy)propanoate;propyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 158097025
butan-2-yl 2-acetyloxy-2-methylpropanoate;butyl 2-acetyloxy-2-methylpropanoate;cyclobutyl 2-acetyloxy-2-methylpropanoate;cyclopentyl 2-acetyloxy-2-methylpropanoate;hexyl 2-acetyloxy-2-methylpropanoate;2-methylbutyl 2-acetyloxy-2-methylpropanoate;3-methylbutyl 2-acetyloxy-2-methylpropanoate;2-methylpropyl 2-acetyloxy-2-methylpropanoate;pentyl 2-acetyloxy-2-methylpropanoate
CID 159481590
butyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;dodecyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;hexadecyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;hexyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;3-methylbutyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;4-methylpentan-2-yl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;2-methylpropyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;octyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;propan-2-yl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;propyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate;tetradecyl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 157476010
3,7,11,15-tetramethylhexadecyl 2-hydroxy-2-methylpropanoate
CID 166505156
1-O-butyl 3-O-(3-methylbutyl) 2,2-dimethylpropanedioate
CID 91699198
1-O-(3-methylbutyl) 3-O-nonyl 2,2-dimethylpropanedioate
CID 91691712
1-O-(2-methylpropyl) 3-O-nonyl 2,2-dimethylpropanedioate
CID 91714570
1-O-butyl 5-O-(2-methylpropyl) 2,2,4,4-tetramethylpentanedioate
CID 126725784
1-O-ethyl 3-O-(6-methylheptyl) 2-cyclopentylpropanedioate
CID 174749012
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
2-O-(16-methylheptadecyl) 1-O-propyl cyclohexane-1,2-dicarboxylate
CID 154246477
1-O-butyl 2-O-(2-methylpropyl) cyclohexane-1,2-dicarboxylate
CID 66983579

Frequently Asked Questions

What is the IUPAC name of butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate?
The IUPAC name of butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate (CID 162001720) is butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate is CC(C)(O)C(=O)OC1CCCC1.CC(C)CC(C)OC(=O)C(C)(C)O.CC(C)CCOC(=O)C(C)(C)O.CC(C)COC(=O)C(C)(C)O.CC(C)OC(=O)C(C)(C)O.CCC(C)COC(=O)C(C)(C)O.CCCCOC(=O)C(C)(C)O.CCCOC(=O)C(C)(C)O.CCOC(=O)C(C)(C)O.
What is the InChIKey of butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate?
The InChIKey is YSHNINBWGYCSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3.C9H16O3.2C9H18O3.2C8H16O3.2C7H14O3.C6H12O3/c1-7(2)6-8(3)13-9(11)10(4,5)12;1-9(2,11)8(10)12-7-5-3-4-6-7;1-7(2)5-6-12-8(10)9(3,4)11;1-5-7(2)6-12-8(10)9(3,4)11;1-6(2)5-11-7(9)8(3,4)10;1-4-5-6-11-7(9)8(2,3)10;1-5(2)10-6(8)7(3,4)9;1-4-5-10-6(8)7(2,3)9;1-4-9-5(7)6(2,3)8/h7-8,12H,6H2,1-5H3;7,11H,3-6H2,1-2H3;2*7,11H,5-6H2,1-4H3;6,10H,5H2,1-4H3;10H,4-6H2,1-3H3;5,9H,1-4H3;9H,4-5H2,1-3H3;8H,4H2,1-3H3.
What are the key properties of butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate?
butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate has a molecular weight of 1453.93 g/mol, XLogP of 9.47, 28 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-hydroxy-2-methylpropanoate;cyclopentyl 2-hydroxy-2-methylpropanoate;ethyl 2-hydroxy-2-methylpropanoate;2-methylbutyl 2-hydroxy-2-methylpropanoate;3-methylbutyl 2-hydroxy-2-methylpropanoate;4-methylpentan-2-yl 2-hydroxy-2-methylpropanoate;2-methylpropyl 2-hydroxy-2-methylpropanoate;propan-2-yl 2-hydroxy-2-methylpropanoate;propyl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 162001720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).