2-(2-prop-2-enoyloxyethyl)but-2-enoic acid

C9H12O4 — CID 91538853

IUPAC2-(2-prop-2-enoyloxyethyl)but-2-enoic acid
SMILESC=CC(=O)OCCC(=CC)C(=O)O
InChIInChI=1S/C9H12O4/c1-3-7(9(11)12)5-6-13-8(10)4-2/h3-4H,2,5-6H2,1H3,(H,11,12)
InChIKeyGCDYALMMCHCKFS-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.14
Rot. Bonds5

About 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid

2-(2-prop-2-enoyloxyethyl)but-2-enoic acid (PubChem CID 91538853) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid.

Molecular Properties

Compound Name2-(2-prop-2-enoyloxyethyl)but-2-enoic acid
PubChem CID91538853
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-(2-prop-2-enoyloxyethyl)but-2-enoic acid
SMILESC=CC(=O)OCCC(=CC)C(=O)O
InChIInChI=1S/C9H12O4/c1-3-7(9(11)12)5-6-13-8(10)4-2/h3-4H,2,5-6H2,1H3,(H,11,12)
InChIKeyGCDYALMMCHCKFS-UHFFFAOYSA-N
XLogP1.14
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
CID 54300292
butyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 159949412
2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate
CID 175881234
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-hydroxyethyl prop-2-enoate;hexakis(prop-1-ene)
CID 173070225
ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
ethenol;hexyl prop-2-enoate;prop-2-enoic acid
CID 88838296
2-methyl-3-oxo-5-prop-2-enoyloxypentanoic acid
CID 141428250

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid?
The IUPAC name of 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid (CID 91538853) is 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid.
What is the SMILES notation for 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid?
The canonical SMILES for 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid is C=CC(=O)OCCC(=CC)C(=O)O.
What is the InChIKey of 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid?
The InChIKey is GCDYALMMCHCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-3-7(9(11)12)5-6-13-8(10)4-2/h3-4H,2,5-6H2,1H3,(H,11,12).
What are the key properties of 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid?
2-(2-prop-2-enoyloxyethyl)but-2-enoic acid has a molecular weight of 184.19 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoyloxyethyl)but-2-enoic acid is sourced from PubChem (CID 91538853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).