(E,6S)-6-hydroxy-5-oxodec-2-enoic acid

C10H16O4 — CID 132525534

IUPAC(E,6S)-6-hydroxy-5-oxodec-2-enoic acid
SMILESCCCC[C@H](O)C(=O)C/C=C/C(=O)O
InChIInChI=1S/C10H16O4/c1-2-3-5-8(11)9(12)6-4-7-10(13)14/h4,7-8,11H,2-3,5-6H2,1H3,(H,13,14)/b7-4+/t8-/m0/s1
InChIKeyBPKVXVVGMKWBQW-IPWDFOCMSA-N
MW200.23 g/mol
LogP1.14
Rot. Bonds7

About (E,6S)-6-hydroxy-5-oxodec-2-enoic acid

(E,6S)-6-hydroxy-5-oxodec-2-enoic acid (PubChem CID 132525534) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (E,6S)-6-hydroxy-5-oxodec-2-enoic acid.

Molecular Properties

Compound Name(E,6S)-6-hydroxy-5-oxodec-2-enoic acid
PubChem CID132525534
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(E,6S)-6-hydroxy-5-oxodec-2-enoic acid
SMILESCCCC[C@H](O)C(=O)C/C=C/C(=O)O
InChIInChI=1S/C10H16O4/c1-2-3-5-8(11)9(12)6-4-7-10(13)14/h4,7-8,11H,2-3,5-6H2,1H3,(H,13,14)/b7-4+/t8-/m0/s1
InChIKeyBPKVXVVGMKWBQW-IPWDFOCMSA-N
XLogP1.14
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

11-hydroxypentadec-2-enoic acid
CID 162983544
7,10,14-trihydroxyoctadec-2-enoic acid
CID 146242425
(2R)-2-hydroxyhexanoic acid
CID 6995511
5-oxodec-2-enoic acid
CID 85427475
5-hydroxyundec-2-enoic acid
CID 54094975
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
ethane;2-hydroxyhexanoic acid
CID 20976061
(E)-4-(hexan-2-ylamino)but-2-enoic acid
CID 103248350
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
7,10,13-trihydroxyoctadec-2-enoic acid
CID 146242236
14-hydroxyicos-2-enoic acid
CID 54225996
24-(2-hydroxytetracos-15-enoyloxy)tetracos-2-enoic acid
CID 91594290

Frequently Asked Questions

What is the IUPAC name of (E,6S)-6-hydroxy-5-oxodec-2-enoic acid?
The IUPAC name of (E,6S)-6-hydroxy-5-oxodec-2-enoic acid (CID 132525534) is (E,6S)-6-hydroxy-5-oxodec-2-enoic acid.
What is the SMILES notation for (E,6S)-6-hydroxy-5-oxodec-2-enoic acid?
The canonical SMILES for (E,6S)-6-hydroxy-5-oxodec-2-enoic acid is CCCC[C@H](O)C(=O)C/C=C/C(=O)O.
What is the InChIKey of (E,6S)-6-hydroxy-5-oxodec-2-enoic acid?
The InChIKey is BPKVXVVGMKWBQW-IPWDFOCMSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-3-5-8(11)9(12)6-4-7-10(13)14/h4,7-8,11H,2-3,5-6H2,1H3,(H,13,14)/b7-4+/t8-/m0/s1.
What are the key properties of (E,6S)-6-hydroxy-5-oxodec-2-enoic acid?
(E,6S)-6-hydroxy-5-oxodec-2-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S)-6-hydroxy-5-oxodec-2-enoic acid is sourced from PubChem (CID 132525534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).