(Z)-2-hydroxyhex-3-enedioic acid

C6H8O5 — CID 134158770

IUPAC(Z)-2-hydroxyhex-3-enedioic acid
SMILESO=C(O)C/C=C\C(O)C(=O)O
InChIInChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-2,4,7H,3H2,(H,8,9)(H,10,11)/b2-1-
InChIKeyYWMZSRJNHFFFFS-UPHRSURJSA-N
MW160.12 g/mol
LogP-0.54
Rot. Bonds4

About (Z)-2-hydroxyhex-3-enedioic acid

(Z)-2-hydroxyhex-3-enedioic acid (PubChem CID 134158770) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is (Z)-2-hydroxyhex-3-enedioic acid.

Molecular Properties

Compound Name(Z)-2-hydroxyhex-3-enedioic acid
PubChem CID134158770
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name(Z)-2-hydroxyhex-3-enedioic acid
SMILESO=C(O)C/C=C\C(O)C(=O)O
InChIInChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-2,4,7H,3H2,(H,8,9)(H,10,11)/b2-1-
InChIKeyYWMZSRJNHFFFFS-UPHRSURJSA-N
XLogP-0.54
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,5R)-5-methylhept-3-enoic acid
CID 11636814
5,7-dimethyloct-3-enoic acid
CID 162716826
5-formyl-7-hydroxyhepta-3,6-dienoic acid
CID 173308582
(E)-5,6-dimethyloct-3-enoic acid
CID 155168954
(2R)-2-hydroxy-6-phenylhex-3-enoic acid
CID 67831587
(3E)-5-methylocta-3,7-dienoic acid
CID 12676518
2-hexylhex-3-enedioic acid
CID 142465672
pent-2-enedioic acid
CID 87399612
(E)-4-sulfanylbut-3-enoic acid
CID 87827662
5-methylnon-3-enoic acid
CID 73071370
6-hydroxy-5-methylundec-3-enoic acid
CID 139632743
(E)-hex-4-ene-1,2,6-tricarboxylic acid
CID 19864714

Frequently Asked Questions

What is the IUPAC name of (Z)-2-hydroxyhex-3-enedioic acid?
The IUPAC name of (Z)-2-hydroxyhex-3-enedioic acid (CID 134158770) is (Z)-2-hydroxyhex-3-enedioic acid.
What is the SMILES notation for (Z)-2-hydroxyhex-3-enedioic acid?
The canonical SMILES for (Z)-2-hydroxyhex-3-enedioic acid is O=C(O)C/C=C\C(O)C(=O)O.
What is the InChIKey of (Z)-2-hydroxyhex-3-enedioic acid?
The InChIKey is YWMZSRJNHFFFFS-UPHRSURJSA-N. The full InChI is InChI=1S/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-2,4,7H,3H2,(H,8,9)(H,10,11)/b2-1-.
What are the key properties of (Z)-2-hydroxyhex-3-enedioic acid?
(Z)-2-hydroxyhex-3-enedioic acid has a molecular weight of 160.12 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-hydroxyhex-3-enedioic acid is sourced from PubChem (CID 134158770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).