(2S)-2-hydroxy-4-oxodecanoic acid

C10H18O4 — CID 54543657

IUPAC(2S)-2-hydroxy-4-oxodecanoic acid
SMILESCCCCCCC(=O)C[C@H](O)C(=O)O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-6-8(11)7-9(12)10(13)14/h9,12H,2-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZFAIFQSJLNBVSG-VIFPVBQESA-N
MW202.25 g/mol
LogP1.36
Rot. Bonds8

About (2S)-2-hydroxy-4-oxodecanoic acid

(2S)-2-hydroxy-4-oxodecanoic acid (PubChem CID 54543657) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-oxodecanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-oxodecanoic acid
PubChem CID54543657
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2S)-2-hydroxy-4-oxodecanoic acid
SMILESCCCCCCC(=O)C[C@H](O)C(=O)O
InChIInChI=1S/C10H18O4/c1-2-3-4-5-6-8(11)7-9(12)10(13)14/h9,12H,2-7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyZFAIFQSJLNBVSG-VIFPVBQESA-N
XLogP1.36
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methyl-4-oxopentadecanoic acid
CID 163018210
(2S,3R)-2-amino-3-hydroxy-5-oxooctadecanoic acid
CID 174767583
2-hydroxyundecan-4-one
CID 57218315
1-hydroxy-3-oxononane-1-sulfonic acid
CID 11687549
2-methylhexadecan-4-one
CID 63411798
4-methyltetradecan-6-one
CID 12635285
11-hydroxynonadecan-9-one
CID 100944351
6-hydroxypentacosan-8-one
CID 131751819
5-methyltridecan-7-one
CID 71413449
6,13,24,31-tetrahydroxyhexatriacontane-8,15,22,29-tetrone
CID 163056640
12-methylhenicosan-10-one
CID 71761778
decanoic acid;2-hydroxybutanoic acid
CID 87148491

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-oxodecanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-oxodecanoic acid (CID 54543657) is (2S)-2-hydroxy-4-oxodecanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-oxodecanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-oxodecanoic acid is CCCCCCC(=O)C[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-oxodecanoic acid?
The InChIKey is ZFAIFQSJLNBVSG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18O4/c1-2-3-4-5-6-8(11)7-9(12)10(13)14/h9,12H,2-7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-oxodecanoic acid?
(2S)-2-hydroxy-4-oxodecanoic acid has a molecular weight of 202.25 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-oxodecanoic acid is sourced from PubChem (CID 54543657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).