3-hydroxy-2,4,6-trimethyloctanoic acid

C11H22O3 — CID 14753157

IUPAC3-hydroxy-2,4,6-trimethyloctanoic acid
SMILESCCC(C)CC(C)C(O)C(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-5-7(2)6-8(3)10(12)9(4)11(13)14/h7-10,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyPTBSRFJPVULOFP-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.14
Rot. Bonds6

About 3-hydroxy-2,4,6-trimethyloctanoic acid

3-hydroxy-2,4,6-trimethyloctanoic acid (PubChem CID 14753157) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 3-hydroxy-2,4,6-trimethyloctanoic acid.

Molecular Properties

Compound Name3-hydroxy-2,4,6-trimethyloctanoic acid
PubChem CID14753157
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name3-hydroxy-2,4,6-trimethyloctanoic acid
SMILESCCC(C)CC(C)C(O)C(C)C(=O)O
InChIInChI=1S/C11H22O3/c1-5-7(2)6-8(3)10(12)9(4)11(13)14/h7-10,12H,5-6H2,1-4H3,(H,13,14)
InChIKeyPTBSRFJPVULOFP-UHFFFAOYSA-N
XLogP2.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2,4,6-trimethyloctanoic acid?
The IUPAC name of 3-hydroxy-2,4,6-trimethyloctanoic acid (CID 14753157) is 3-hydroxy-2,4,6-trimethyloctanoic acid.
What is the SMILES notation for 3-hydroxy-2,4,6-trimethyloctanoic acid?
The canonical SMILES for 3-hydroxy-2,4,6-trimethyloctanoic acid is CCC(C)CC(C)C(O)C(C)C(=O)O.
What is the InChIKey of 3-hydroxy-2,4,6-trimethyloctanoic acid?
The InChIKey is PTBSRFJPVULOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-5-7(2)6-8(3)10(12)9(4)11(13)14/h7-10,12H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 3-hydroxy-2,4,6-trimethyloctanoic acid?
3-hydroxy-2,4,6-trimethyloctanoic acid has a molecular weight of 202.29 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2,4,6-trimethyloctanoic acid is sourced from PubChem (CID 14753157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).