2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate

C14H30O7 — CID 159782312

IUPAC2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)O.CC(C)O.CC(C)OC(=O)C(C)(C)O
InChIInChI=1S/C7H14O3.C4H8O3.C3H8O/c1-5(2)10-6(8)7(3,4)9;1-4(2,7)3(5)6;1-3(2)4/h5,9H,1-4H3;7H,1-2H3,(H,5,6);3-4H,1-2H3
InChIKeyNHMVZZBNUPUUOD-UHFFFAOYSA-N
MW310.39 g/mol
LogP0.94
Rot. Bonds3

About 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate

2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate (PubChem CID 159782312) has the molecular formula C14H30O7 and a molecular weight of 310.39 g/mol. Its IUPAC name is 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate
PubChem CID159782312
Molecular FormulaC14H30O7
Molecular Weight310.39 g/mol
Exact Mass310.20
IUPAC Name2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate
SMILESCC(C)(O)C(=O)O.CC(C)O.CC(C)OC(=O)C(C)(C)O
InChIInChI=1S/C7H14O3.C4H8O3.C3H8O/c1-5(2)10-6(8)7(3,4)9;1-4(2,7)3(5)6;1-3(2)4/h5,9H,1-4H3;7H,1-2H3,(H,5,6);3-4H,1-2H3
InChIKeyNHMVZZBNUPUUOD-UHFFFAOYSA-N
XLogP0.94
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethylpentan-3-yl 2-hydroxy-2-methylpropanoate
CID 166505180
2-hydroxy-2-(113C)methyl(1,2,3-13C3)propanoic acid
CID 71309334
1-methoxyethyl 2-hydroxy-2-methylpropanoate
CID 175601186
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634
propan-2-yl 2,2-dichloro-3-methylbutanoate
CID 57232967
dipropan-2-yl 2,3-dimethoxy-2,3-dimethylbutanedioate
CID 139989252
propan-2-yl 2,2,2-tribromoacetate
CID 6432844
dipropan-2-yl 2-hydroxy-2-methylbutanedioate
CID 87505612
propan-2-yl 2-amino-2-sulfanylpropanoate
CID 123998994
propan-2-yl 2-amino-2,3-dimethylbutanoate
CID 18780772
benzene;5-chlorocyclohepta-1,4,6-triene-1-carbaldehyde;propan-2-yl 2-hydroxy-2-methylpropanoate
CID 142141261
methane;propan-2-yl 2-methyl-2-(methylamino)propanoate
CID 167683486

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate?
The IUPAC name of 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate (CID 159782312) is 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate.
What is the SMILES notation for 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate?
The canonical SMILES for 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate is CC(C)(O)C(=O)O.CC(C)O.CC(C)OC(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate?
The InChIKey is NHMVZZBNUPUUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C4H8O3.C3H8O/c1-5(2)10-6(8)7(3,4)9;1-4(2,7)3(5)6;1-3(2)4/h5,9H,1-4H3;7H,1-2H3,(H,5,6);3-4H,1-2H3.
What are the key properties of 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate?
2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate has a molecular weight of 310.39 g/mol, XLogP of 0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylpropanoic acid;propan-2-ol;propan-2-yl 2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 159782312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).