ethyl (Z)-4-hydroxybut-3-enoate

C6H10O3 — CID 173168664

IUPACethyl (Z)-4-hydroxybut-3-enoate
SMILESCCOC(=O)C/C=C\O
InChIInChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h3,5,7H,2,4H2,1H3/b5-3-
InChIKeyXKJNUJJMSSNZJR-HYXAFXHYSA-N
MW130.14 g/mol
LogP1.01
Rot. Bonds3

About ethyl (Z)-4-hydroxybut-3-enoate

ethyl (Z)-4-hydroxybut-3-enoate (PubChem CID 173168664) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is ethyl (Z)-4-hydroxybut-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-hydroxybut-3-enoate
PubChem CID173168664
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Nameethyl (Z)-4-hydroxybut-3-enoate
SMILESCCOC(=O)C/C=C\O
InChIInChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h3,5,7H,2,4H2,1H3/b5-3-
InChIKeyXKJNUJJMSSNZJR-HYXAFXHYSA-N
XLogP1.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-5-oxohex-3-enoate
CID 15568425
ethyl hept-3-enoate
CID 533698
ethyl (Z)-5-oxopent-3-enoate
CID 89203017
ethyl hexa-3,5-dienoate
CID 54153384
ethyl (3Z,6Z)-nona-3,6-dienoate
CID 122667686
ethyl 5-methylhexa-3,5-dienoate
CID 54020800
alumane;ethyl 3-oxopropanoate
CID 173333802
potassium;ethyl 3-oxopropanoate;hydride
CID 174389655
(3-ethoxy-3-oxopropylidene)-(hydroxymethyl)-oxidophosphanium
CID 141215380
ethyl (3Z,6Z)-dodeca-3,6-dienoate
CID 134980276
[(E,2S)-6-ethoxy-6-oxohex-3-en-2-yl]-trifluoroboranuide
CID 132511403
diethyl hexanedioate
CID 160747628

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-hydroxybut-3-enoate?
The IUPAC name of ethyl (Z)-4-hydroxybut-3-enoate (CID 173168664) is ethyl (Z)-4-hydroxybut-3-enoate.
What is the SMILES notation for ethyl (Z)-4-hydroxybut-3-enoate?
The canonical SMILES for ethyl (Z)-4-hydroxybut-3-enoate is CCOC(=O)C/C=C\O.
What is the InChIKey of ethyl (Z)-4-hydroxybut-3-enoate?
The InChIKey is XKJNUJJMSSNZJR-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h3,5,7H,2,4H2,1H3/b5-3-.
What are the key properties of ethyl (Z)-4-hydroxybut-3-enoate?
ethyl (Z)-4-hydroxybut-3-enoate has a molecular weight of 130.14 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-hydroxybut-3-enoate is sourced from PubChem (CID 173168664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).