(Z)-4-hexoxy-4-oxobut-2-enoic acid

C10H16O4 — CID 13349882

IUPAC(Z)-4-hexoxy-4-oxobut-2-enoic acid
SMILESCCCCCCOC(=O)/C=C\C(=O)O
InChIInChI=1S/C10H16O4/c1-2-3-4-5-8-14-10(13)7-6-9(11)12/h6-7H,2-5,8H2,1H3,(H,11,12)/b7-6-
InChIKeyRNERBJNDXXEXTK-SREVYHEPSA-N
MW200.23 g/mol
LogP1.75
Rot. Bonds7

About (Z)-4-hexoxy-4-oxobut-2-enoic acid

(Z)-4-hexoxy-4-oxobut-2-enoic acid (PubChem CID 13349882) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (Z)-4-hexoxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-hexoxy-4-oxobut-2-enoic acid
PubChem CID13349882
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(Z)-4-hexoxy-4-oxobut-2-enoic acid
SMILESCCCCCCOC(=O)/C=C\C(=O)O
InChIInChI=1S/C10H16O4/c1-2-3-4-5-8-14-10(13)7-6-9(11)12/h6-7H,2-5,8H2,1H3,(H,11,12)/b7-6-
InChIKeyRNERBJNDXXEXTK-SREVYHEPSA-N
XLogP1.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hexoxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-hexoxy-4-oxobut-2-enoic acid (CID 13349882) is (Z)-4-hexoxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-hexoxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-hexoxy-4-oxobut-2-enoic acid is CCCCCCOC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-hexoxy-4-oxobut-2-enoic acid?
The InChIKey is RNERBJNDXXEXTK-SREVYHEPSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-3-4-5-8-14-10(13)7-6-9(11)12/h6-7H,2-5,8H2,1H3,(H,11,12)/b7-6-.
What are the key properties of (Z)-4-hexoxy-4-oxobut-2-enoic acid?
(Z)-4-hexoxy-4-oxobut-2-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hexoxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 13349882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).