(Z)-2-hydroxyoct-2-enoic acid

C8H14O3 — CID 87585119

IUPAC(Z)-2-hydroxyoct-2-enoic acid
SMILESCCCCC/C=C(\O)C(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h6,9H,2-5H2,1H3,(H,10,11)/b7-6-
InChIKeyVUGCRZWLUQYEPR-SREVYHEPSA-N
MW158.20 g/mol
LogP2.09
Rot. Bonds5

About (Z)-2-hydroxyoct-2-enoic acid

(Z)-2-hydroxyoct-2-enoic acid (PubChem CID 87585119) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (Z)-2-hydroxyoct-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-hydroxyoct-2-enoic acid
PubChem CID87585119
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(Z)-2-hydroxyoct-2-enoic acid
SMILESCCCCC/C=C(\O)C(=O)O
InChIInChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h6,9H,2-5H2,1H3,(H,10,11)/b7-6-
InChIKeyVUGCRZWLUQYEPR-SREVYHEPSA-N
XLogP2.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-hydroxyicosa-2,14-dienoic acid
CID 174406784
2-hexylidenepropanedioic acid
CID 21274064
(Z)-2-hydroxyoctadec-2-enamide
CID 166667258
2-nonadecylidenepropanedioic acid
CID 19832661
(Z)-2-(1-hydroxydec-1-enyl)but-2-enedioic acid
CID 175436031
2-hydroxynon-2-enoic acid;phenol;phosphoric acid
CID 174872758
(Z)-2-chlorooct-2-enoic acid
CID 101279333
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
2,10-dihydroxydec-2-enoic acid
CID 151158314
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxyoct-2-enoic acid?
The IUPAC name of (Z)-2-hydroxyoct-2-enoic acid (CID 87585119) is (Z)-2-hydroxyoct-2-enoic acid.
What is the SMILES notation for (Z)-2-hydroxyoct-2-enoic acid?
The canonical SMILES for (Z)-2-hydroxyoct-2-enoic acid is CCCCC/C=C(\O)C(=O)O.
What is the InChIKey of (Z)-2-hydroxyoct-2-enoic acid?
The InChIKey is VUGCRZWLUQYEPR-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h6,9H,2-5H2,1H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-2-hydroxyoct-2-enoic acid?
(Z)-2-hydroxyoct-2-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxyoct-2-enoic acid is sourced from PubChem (CID 87585119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).