4-hydroxy-2-(2-hydroxyethyl)octanoic acid

C10H20O4 — CID 22162050

IUPAC4-hydroxy-2-(2-hydroxyethyl)octanoic acid
SMILESCCCCC(O)CC(CCO)C(=O)O
InChIInChI=1S/C10H20O4/c1-2-3-4-9(12)7-8(5-6-11)10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyRFRCBXVHVQOHBO-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.01
Rot. Bonds8

About 4-hydroxy-2-(2-hydroxyethyl)octanoic acid

4-hydroxy-2-(2-hydroxyethyl)octanoic acid (PubChem CID 22162050) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-hydroxy-2-(2-hydroxyethyl)octanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(2-hydroxyethyl)octanoic acid
PubChem CID22162050
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name4-hydroxy-2-(2-hydroxyethyl)octanoic acid
SMILESCCCCC(O)CC(CCO)C(=O)O
InChIInChI=1S/C10H20O4/c1-2-3-4-9(12)7-8(5-6-11)10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyRFRCBXVHVQOHBO-UHFFFAOYSA-N
XLogP1.01
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-hydroxy-2-(4-hydroxybutyl)decanoic acid
CID 142685881
2-(2-hydroxyethyl)octadecanoic acid
CID 19915552
2-(2-hydroxyethyl)tetradecanoic acid
CID 54117326
(5R,7S)-undecane-5,7-diol
CID 10899409
2-nonyl-4-tridecylpentanedioic acid
CID 87929882
2-(10-hydroxyhexadecyl)hexacosanoic acid
CID 87612746
2-dodecyl-14-hydroxyicosanoic acid
CID 87612369
CID 87702087
CID 87702087
acetic acid;nonan-5-ol
CID 53445479
12-hydroxy-2-(hydroxymethyl)octadecanoic acid
CID 162814752
azane;2-(4-hydroxy-2-methylbutyl)octadecanoic acid
CID 174875304
barium(2+);2-ethylhexanoic acid;hydride
CID 172997422

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-hydroxyethyl)octanoic acid?
The IUPAC name of 4-hydroxy-2-(2-hydroxyethyl)octanoic acid (CID 22162050) is 4-hydroxy-2-(2-hydroxyethyl)octanoic acid.
What is the SMILES notation for 4-hydroxy-2-(2-hydroxyethyl)octanoic acid?
The canonical SMILES for 4-hydroxy-2-(2-hydroxyethyl)octanoic acid is CCCCC(O)CC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-(2-hydroxyethyl)octanoic acid?
The InChIKey is RFRCBXVHVQOHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-2-3-4-9(12)7-8(5-6-11)10(13)14/h8-9,11-12H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-hydroxy-2-(2-hydroxyethyl)octanoic acid?
4-hydroxy-2-(2-hydroxyethyl)octanoic acid has a molecular weight of 204.27 g/mol, XLogP of 1.01, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-hydroxyethyl)octanoic acid is sourced from PubChem (CID 22162050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).