(E,6R)-6-hydroxydodec-3-enoic acid

C12H22O3 — CID 87722437

IUPAC(E,6R)-6-hydroxydodec-3-enoic acid
SMILESCCCCCC[C@@H](O)C/C=C/CC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-8-11(13)9-6-7-10-12(14)15/h6-7,11,13H,2-5,8-10H2,1H3,(H,14,15)/b7-6+/t11-/m1/s1
InChIKeyOCYCYTKZMANKAA-XUIVZRPNSA-N
MW214.30 g/mol
LogP2.74
Rot. Bonds9

About (E,6R)-6-hydroxydodec-3-enoic acid

(E,6R)-6-hydroxydodec-3-enoic acid (PubChem CID 87722437) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (E,6R)-6-hydroxydodec-3-enoic acid.

Molecular Properties

Compound Name(E,6R)-6-hydroxydodec-3-enoic acid
PubChem CID87722437
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(E,6R)-6-hydroxydodec-3-enoic acid
SMILESCCCCCC[C@@H](O)C/C=C/CC(=O)O
InChIInChI=1S/C12H22O3/c1-2-3-4-5-8-11(13)9-6-7-10-12(14)15/h6-7,11,13H,2-5,8-10H2,1H3,(H,14,15)/b7-6+/t11-/m1/s1
InChIKeyOCYCYTKZMANKAA-XUIVZRPNSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260
7-hydroxytridec-4-enoic acid
CID 162699563
(E)-8-hydroxyicos-5-enoic acid
CID 14748256
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
5-hydroxyundec-2-enoic acid
CID 54094975
(Z,12R)-5,12-dihydroxyoctadec-9-enoic acid
CID 87091224
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
CID 175884069
CID 175884069

Frequently Asked Questions

What is the IUPAC name of (E,6R)-6-hydroxydodec-3-enoic acid?
The IUPAC name of (E,6R)-6-hydroxydodec-3-enoic acid (CID 87722437) is (E,6R)-6-hydroxydodec-3-enoic acid.
What is the SMILES notation for (E,6R)-6-hydroxydodec-3-enoic acid?
The canonical SMILES for (E,6R)-6-hydroxydodec-3-enoic acid is CCCCCC[C@@H](O)C/C=C/CC(=O)O.
What is the InChIKey of (E,6R)-6-hydroxydodec-3-enoic acid?
The InChIKey is OCYCYTKZMANKAA-XUIVZRPNSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-3-4-5-8-11(13)9-6-7-10-12(14)15/h6-7,11,13H,2-5,8-10H2,1H3,(H,14,15)/b7-6+/t11-/m1/s1.
What are the key properties of (E,6R)-6-hydroxydodec-3-enoic acid?
(E,6R)-6-hydroxydodec-3-enoic acid has a molecular weight of 214.30 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6R)-6-hydroxydodec-3-enoic acid is sourced from PubChem (CID 87722437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).