(Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid

C11H20O4 — CID 162854311

IUPAC(Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid
SMILESCCCCC[C@@H](O)C/C(=C/C(=O)O)OC
InChIInChI=1S/C11H20O4/c1-3-4-5-6-9(12)7-10(15-2)8-11(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14)/b10-8-/t9-/m1/s1
InChIKeyLUKBVAKONHBHSB-URLRMUCDSA-N
MW216.28 g/mol
LogP1.93
Rot. Bonds8

About (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid

(Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid (PubChem CID 162854311) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid.

Molecular Properties

Compound Name(Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid
PubChem CID162854311
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name(Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid
SMILESCCCCC[C@@H](O)C/C(=C/C(=O)O)OC
InChIInChI=1S/C11H20O4/c1-3-4-5-6-9(12)7-10(15-2)8-11(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14)/b10-8-/t9-/m1/s1
InChIKeyLUKBVAKONHBHSB-URLRMUCDSA-N
XLogP1.93
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-5-hydroxy-3-methoxytetradec-2-enoate
CID 101474321
3-(3-hydroxynonanoyloxy)dodec-2-enoic acid
CID 140865803
3-(3-hydroxyhexadecanoyloxy)dec-2-enoic acid
CID 140865779
3-(3-hydroxyundecanoyloxy)hexadec-2-enoic acid
CID 140865770
3-hydroxyoctanoic acid
CID 159718411
3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
2-hexyl-5-hydroxy-3-oxohexadecanoic acid
CID 18546941
octadecyl 3-hydroxydocosanoate
CID 139650749
trimethyl (Z,5R)-5-hydroxytetradec-2-ene-1,2,3-tricarboxylate
CID 87217106
3-methoxypent-2-enedioic acid
CID 86011063
(5S)-5-hydroxydecan-3-one
CID 102362310

Frequently Asked Questions

What is the IUPAC name of (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid?
The IUPAC name of (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid (CID 162854311) is (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid.
What is the SMILES notation for (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid?
The canonical SMILES for (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid is CCCCC[C@@H](O)C/C(=C/C(=O)O)OC.
What is the InChIKey of (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid?
The InChIKey is LUKBVAKONHBHSB-URLRMUCDSA-N. The full InChI is InChI=1S/C11H20O4/c1-3-4-5-6-9(12)7-10(15-2)8-11(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14)/b10-8-/t9-/m1/s1.
What are the key properties of (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid?
(Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,5R)-5-hydroxy-3-methoxydec-2-enoic acid is sourced from PubChem (CID 162854311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).