4-hydroxy-2,3-dimethyloctanoic acid

C10H20O3 — CID 79414235

IUPAC4-hydroxy-2,3-dimethyloctanoic acid
SMILESCCCCC(O)C(C)C(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-4-5-6-9(11)7(2)8(3)10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyGMEFKNZUVFMQIB-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds6

About 4-hydroxy-2,3-dimethyloctanoic acid

4-hydroxy-2,3-dimethyloctanoic acid (PubChem CID 79414235) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-hydroxy-2,3-dimethyloctanoic acid.

Molecular Properties

Compound Name4-hydroxy-2,3-dimethyloctanoic acid
PubChem CID79414235
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name4-hydroxy-2,3-dimethyloctanoic acid
SMILESCCCCC(O)C(C)C(C)C(=O)O
InChIInChI=1S/C10H20O3/c1-4-5-6-9(11)7(2)8(3)10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyGMEFKNZUVFMQIB-UHFFFAOYSA-N
XLogP1.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-hydroxy-2-methyloctadecanoic acid
CID 101438178
2,3,4-trimethyldecanoic acid
CID 150709082
ethane;2-hydroxyhexanoic acid
CID 20976061
6-bromo-3-hydroxy-2-methylhexanoic acid
CID 14637746
2-butyl-3-methylbutanedioic acid;gold
CID 174979510
(2S)-2-amino-3-hydroxyheptanoic acid
CID 139775906
4-hydroxy-3-methyloctanoic acid
CID 19371970
(2R)-2-hydroxyhexanoic acid
CID 6995511
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684
3-hydroxy-2-methyl-6-[methyl(octyl)amino]hexanoic acid;methanol
CID 170620165
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
(2R)-2-chlorohexanoic acid
CID 12732681

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,3-dimethyloctanoic acid?
The IUPAC name of 4-hydroxy-2,3-dimethyloctanoic acid (CID 79414235) is 4-hydroxy-2,3-dimethyloctanoic acid.
What is the SMILES notation for 4-hydroxy-2,3-dimethyloctanoic acid?
The canonical SMILES for 4-hydroxy-2,3-dimethyloctanoic acid is CCCCC(O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-hydroxy-2,3-dimethyloctanoic acid?
The InChIKey is GMEFKNZUVFMQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-5-6-9(11)7(2)8(3)10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 4-hydroxy-2,3-dimethyloctanoic acid?
4-hydroxy-2,3-dimethyloctanoic acid has a molecular weight of 188.27 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,3-dimethyloctanoic acid is sourced from PubChem (CID 79414235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).