5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid

C16H32O5 — CID 159615695

IUPAC5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CC(CC(C)(C)C(=O)O)C(O)C(C)(C)C
InChIInChI=1S/C12H24O3.C4H8O2/c1-8(9(13)11(2,3)4)7-12(5,6)10(14)15;1-3(2)4(5)6/h8-9,13H,7H2,1-6H3,(H,14,15);3H,1-2H3,(H,5,6)
InChIKeyMNGGLZBFAKSYRZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.26
Rot. Bonds5

About 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid

5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid (PubChem CID 159615695) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid.

Molecular Properties

Compound Name5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid
PubChem CID159615695
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CC(CC(C)(C)C(=O)O)C(O)C(C)(C)C
InChIInChI=1S/C12H24O3.C4H8O2/c1-8(9(13)11(2,3)4)7-12(5,6)10(14)15;1-3(2)4(5)6/h8-9,13H,7H2,1-6H3,(H,14,15);3H,1-2H3,(H,5,6)
InChIKeyMNGGLZBFAKSYRZ-UHFFFAOYSA-N
XLogP3.26
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,4-trimethylhexanoic acid
CID 15564208
(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoic acid
CID 10909859
2-methylpropanoic acid
CID 173073412
2,2,4,6-tetramethylheptan-3-ol
CID 89214446
2-hydroxy-3,5,5-trimethylhexanoic acid
CID 83906054
(2R,3R)-3-hydroxy-4,4-dimethyl-2-methylsulfanylpentanoic acid
CID 102001505
2,2,4,6,8-pentamethyl-5-methylidenenonanedioic acid
CID 167240183
azane;2-methylpropanoic acid;hydrate
CID 161320294
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
alumane;2-methylpropanoic acid
CID 173068323
methanol;2-methylpropanoic acid
CID 159214919

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid?
The IUPAC name of 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid (CID 159615695) is 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid.
What is the SMILES notation for 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid?
The canonical SMILES for 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid is CC(C)C(=O)O.CC(CC(C)(C)C(=O)O)C(O)C(C)(C)C.
What is the InChIKey of 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid?
The InChIKey is MNGGLZBFAKSYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3.C4H8O2/c1-8(9(13)11(2,3)4)7-12(5,6)10(14)15;1-3(2)4(5)6/h8-9,13H,7H2,1-6H3,(H,14,15);3H,1-2H3,(H,5,6).
What are the key properties of 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid?
5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid has a molecular weight of 304.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2,2,4,6,6-pentamethylheptanoic acid;2-methylpropanoic acid is sourced from PubChem (CID 159615695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).