(Z)-2-ethyl-3-hydroxyhex-2-enoic acid

C8H14O3 — CID 173169828

IUPAC(Z)-2-ethyl-3-hydroxyhex-2-enoic acid
SMILESCCC/C(O)=C(\CC)C(=O)O
InChIInChI=1S/C8H14O3/c1-3-5-7(9)6(4-2)8(10)11/h9H,3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyPPLAKBMHUVDJIU-SREVYHEPSA-N
MW158.20 g/mol
LogP2.09
Rot. Bonds4

About (Z)-2-ethyl-3-hydroxyhex-2-enoic acid

(Z)-2-ethyl-3-hydroxyhex-2-enoic acid (PubChem CID 173169828) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (Z)-2-ethyl-3-hydroxyhex-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethyl-3-hydroxyhex-2-enoic acid
PubChem CID173169828
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(Z)-2-ethyl-3-hydroxyhex-2-enoic acid
SMILESCCC/C(O)=C(\CC)C(=O)O
InChIInChI=1S/C8H14O3/c1-3-5-7(9)6(4-2)8(10)11/h9H,3-5H2,1-2H3,(H,10,11)/b7-6-
InChIKeyPPLAKBMHUVDJIU-SREVYHEPSA-N
XLogP2.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 150517342
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2-methylidenepentanoic acid;hydrate
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2-ethyl-3-hydroxynon-2-enamide
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2-(dicyanomethylidene)butanoic acid
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(E)-2,3-dioctadecylbut-2-enedioic acid
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2-oxopentanoic acid;dihydrochloride
CID 143025577
2-butan-2-ylideneoctanoic acid
CID 173391437
4-bromo-2-ethyl-3-methylbut-2-enoic acid
CID 71436552
2-butyl-3-octylbut-2-enedioic acid
CID 54144234
(E)-2-ethyl-3-(1-hydroxyethyl)but-2-enedioic acid
CID 87892946

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-3-hydroxyhex-2-enoic acid?
The IUPAC name of (Z)-2-ethyl-3-hydroxyhex-2-enoic acid (CID 173169828) is (Z)-2-ethyl-3-hydroxyhex-2-enoic acid.
What is the SMILES notation for (Z)-2-ethyl-3-hydroxyhex-2-enoic acid?
The canonical SMILES for (Z)-2-ethyl-3-hydroxyhex-2-enoic acid is CCC/C(O)=C(\CC)C(=O)O.
What is the InChIKey of (Z)-2-ethyl-3-hydroxyhex-2-enoic acid?
The InChIKey is PPLAKBMHUVDJIU-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-5-7(9)6(4-2)8(10)11/h9H,3-5H2,1-2H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-2-ethyl-3-hydroxyhex-2-enoic acid?
(Z)-2-ethyl-3-hydroxyhex-2-enoic acid has a molecular weight of 158.20 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-3-hydroxyhex-2-enoic acid is sourced from PubChem (CID 173169828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).