6-hydroxy-3,7-dimethyloctanoic acid

C10H20O3 — CID 23422948

IUPAC6-hydroxy-3,7-dimethyloctanoic acid
SMILESCC(CCC(O)C(C)C)CC(=O)O
InChIInChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyIQBGVZDRJBTLDN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.89
Rot. Bonds6

About 6-hydroxy-3,7-dimethyloctanoic acid

6-hydroxy-3,7-dimethyloctanoic acid (PubChem CID 23422948) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-hydroxy-3,7-dimethyloctanoic acid.

Molecular Properties

Compound Name6-hydroxy-3,7-dimethyloctanoic acid
PubChem CID23422948
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name6-hydroxy-3,7-dimethyloctanoic acid
SMILESCC(CCC(O)C(C)C)CC(=O)O
InChIInChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyIQBGVZDRJBTLDN-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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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3,7-dimethyloctanoic acid?
The IUPAC name of 6-hydroxy-3,7-dimethyloctanoic acid (CID 23422948) is 6-hydroxy-3,7-dimethyloctanoic acid.
What is the SMILES notation for 6-hydroxy-3,7-dimethyloctanoic acid?
The canonical SMILES for 6-hydroxy-3,7-dimethyloctanoic acid is CC(CCC(O)C(C)C)CC(=O)O.
What is the InChIKey of 6-hydroxy-3,7-dimethyloctanoic acid?
The InChIKey is IQBGVZDRJBTLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-7(2)9(11)5-4-8(3)6-10(12)13/h7-9,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 6-hydroxy-3,7-dimethyloctanoic acid?
6-hydroxy-3,7-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 6-hydroxy-3,7-dimethyloctanoic acid is sourced from PubChem (CID 23422948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).