2-hydroxy-3,4-dimethylhexanoic acid

C8H16O3 — CID 66289639

IUPAC2-hydroxy-3,4-dimethylhexanoic acid
SMILESCCC(C)C(C)C(O)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5(2)6(3)7(9)8(10)11/h5-7,9H,4H2,1-3H3,(H,10,11)
InChIKeyMFAQNEKFQPASLR-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.11
Rot. Bonds4

About 2-hydroxy-3,4-dimethylhexanoic acid

2-hydroxy-3,4-dimethylhexanoic acid (PubChem CID 66289639) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-hydroxy-3,4-dimethylhexanoic acid.

Molecular Properties

Compound Name2-hydroxy-3,4-dimethylhexanoic acid
PubChem CID66289639
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-hydroxy-3,4-dimethylhexanoic acid
SMILESCCC(C)C(C)C(O)C(=O)O
InChIInChI=1S/C8H16O3/c1-4-5(2)6(3)7(9)8(10)11/h5-7,9H,4H2,1-3H3,(H,10,11)
InChIKeyMFAQNEKFQPASLR-UHFFFAOYSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-dimethylhexanoic acid?
The IUPAC name of 2-hydroxy-3,4-dimethylhexanoic acid (CID 66289639) is 2-hydroxy-3,4-dimethylhexanoic acid.
What is the SMILES notation for 2-hydroxy-3,4-dimethylhexanoic acid?
The canonical SMILES for 2-hydroxy-3,4-dimethylhexanoic acid is CCC(C)C(C)C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3,4-dimethylhexanoic acid?
The InChIKey is MFAQNEKFQPASLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-5(2)6(3)7(9)8(10)11/h5-7,9H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-hydroxy-3,4-dimethylhexanoic acid?
2-hydroxy-3,4-dimethylhexanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-dimethylhexanoic acid is sourced from PubChem (CID 66289639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).