4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid

C12H22O4 — CID 58193304

IUPAC4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid
SMILESCC(C)CC(CC(O)C(=O)C(C)C)C(=O)O
InChIInChI=1S/C12H22O4/c1-7(2)5-9(12(15)16)6-10(13)11(14)8(3)4/h7-10,13H,5-6H2,1-4H3,(H,15,16)
InChIKeyUYZUTDBBLWFGEL-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.71
Rot. Bonds7

About 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid

4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid (PubChem CID 58193304) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid.

Molecular Properties

Compound Name4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid
PubChem CID58193304
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid
SMILESCC(C)CC(CC(O)C(=O)C(C)C)C(=O)O
InChIInChI=1S/C12H22O4/c1-7(2)5-9(12(15)16)6-10(13)11(14)8(3)4/h7-10,13H,5-6H2,1-4H3,(H,15,16)
InChIKeyUYZUTDBBLWFGEL-UHFFFAOYSA-N
XLogP1.71
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

alumane;4-methyl-2-(2-methylpropyl)pentanoic acid
CID 173457515
(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
CID 174839184
Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)
CID 156593906
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
4-methyl-2-(phosphonomethyl)pentanoic acid
CID 151960225
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
CID 129371887
4-methyl-2-(2-methylpropoxymethyl)pentanoic acid
CID 23168896
2-(acetylsulfanylmethyl)-4-methylpentanoic acid
CID 13017557
(4R)-2-methyl-4-(2-methylpropyl)decan-3-one
CID 158016605
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
CID 14303036

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid?
The IUPAC name of 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid (CID 58193304) is 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid.
What is the SMILES notation for 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid?
The canonical SMILES for 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid is CC(C)CC(CC(O)C(=O)C(C)C)C(=O)O.
What is the InChIKey of 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid?
The InChIKey is UYZUTDBBLWFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-7(2)5-9(12(15)16)6-10(13)11(14)8(3)4/h7-10,13H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid?
4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid has a molecular weight of 230.30 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid is sourced from PubChem (CID 58193304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).