2-ethyl-3-hydroxyoctanoic acid

C10H20O3 — CID 22508303

IUPAC2-ethyl-3-hydroxyoctanoic acid
SMILESCCCCCC(O)C(CC)C(=O)O
InChIInChI=1S/C10H20O3/c1-3-5-6-7-9(11)8(4-2)10(12)13/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyQYMBVLPRSMKEFI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.04
Rot. Bonds7

About 2-ethyl-3-hydroxyoctanoic acid

2-ethyl-3-hydroxyoctanoic acid (PubChem CID 22508303) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-ethyl-3-hydroxyoctanoic acid.

Molecular Properties

Compound Name2-ethyl-3-hydroxyoctanoic acid
PubChem CID22508303
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-ethyl-3-hydroxyoctanoic acid
SMILESCCCCCC(O)C(CC)C(=O)O
InChIInChI=1S/C10H20O3/c1-3-5-6-7-9(11)8(4-2)10(12)13/h8-9,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyQYMBVLPRSMKEFI-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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(Z)-2-docosyl-3-hydroxynonatriacont-18-enoic acid
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2-hexadecyl-3-octadecylbutanedioic acid
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2,3-di(icosyl)butanedioic acid
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(2R)-2-[(1R)-1-aminopropyl]heptanoic acid
CID 118230751
ethyl 3-hydroxy-2-octyltetradecanoate
CID 175541999
3-hydroxy-46-methoxy-2-tetracosylheptatetracontanoic acid
CID 171118956
(2S,3S)-2-ethyl-3-[(1S,2S)-1,2,3-trihydroxypropyl]pentadecanoic acid
CID 140566992
(2S,3S)-3-hydroxy-2-methyloctadecanoic acid
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2-(1-hydroxyethyl)nonanoic acid
CID 87790479

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-hydroxyoctanoic acid?
The IUPAC name of 2-ethyl-3-hydroxyoctanoic acid (CID 22508303) is 2-ethyl-3-hydroxyoctanoic acid.
What is the SMILES notation for 2-ethyl-3-hydroxyoctanoic acid?
The canonical SMILES for 2-ethyl-3-hydroxyoctanoic acid is CCCCCC(O)C(CC)C(=O)O.
What is the InChIKey of 2-ethyl-3-hydroxyoctanoic acid?
The InChIKey is QYMBVLPRSMKEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-5-6-7-9(11)8(4-2)10(12)13/h8-9,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-ethyl-3-hydroxyoctanoic acid?
2-ethyl-3-hydroxyoctanoic acid has a molecular weight of 188.27 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-hydroxyoctanoic acid is sourced from PubChem (CID 22508303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).