buta-2,3-dienyl prop-2-enoate

C7H8O2 — CID 91383520

IUPACbuta-2,3-dienyl prop-2-enoate
SMILESC=C=CCOC(=O)C=C
InChIInChI=1S/C7H8O2/c1-3-5-6-9-7(8)4-2/h4-5H,1-2,6H2
InChIKeyIIFJTEVEPRZYAZ-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.06
Rot. Bonds3

About buta-2,3-dienyl prop-2-enoate

buta-2,3-dienyl prop-2-enoate (PubChem CID 91383520) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is buta-2,3-dienyl prop-2-enoate.

Molecular Properties

Compound Namebuta-2,3-dienyl prop-2-enoate
PubChem CID91383520
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Namebuta-2,3-dienyl prop-2-enoate
SMILESC=C=CCOC(=O)C=C
InChIInChI=1S/C7H8O2/c1-3-5-6-9-7(8)4-2/h4-5H,1-2,6H2
InChIKeyIIFJTEVEPRZYAZ-UHFFFAOYSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methane;prop-2-enyl prop-2-enoate
CID 87568259
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
buta-2,3-dienyl methyl carbonate
CID 10855467
4-prop-2-enoyloxybut-2-ynyl prop-2-enoate
CID 11030671
[(Z)-3-chloroprop-2-enyl] prop-2-enoate
CID 5354525
[(2E)-penta-2,4-dienyl] prop-2-enoate
CID 88501874
3-hydroxyprop-2-enyl prop-2-enoate;methane
CID 173438743
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
buta-2,3-dienyl pentanoate
CID 91395585
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
diethyl(2-prop-2-enoyloxyethylidene)azanium
CID 6454666

Frequently Asked Questions

What is the IUPAC name of buta-2,3-dienyl prop-2-enoate?
The IUPAC name of buta-2,3-dienyl prop-2-enoate (CID 91383520) is buta-2,3-dienyl prop-2-enoate.
What is the SMILES notation for buta-2,3-dienyl prop-2-enoate?
The canonical SMILES for buta-2,3-dienyl prop-2-enoate is C=C=CCOC(=O)C=C.
What is the InChIKey of buta-2,3-dienyl prop-2-enoate?
The InChIKey is IIFJTEVEPRZYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-3-5-6-9-7(8)4-2/h4-5H,1-2,6H2.
What are the key properties of buta-2,3-dienyl prop-2-enoate?
buta-2,3-dienyl prop-2-enoate has a molecular weight of 124.14 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-2,3-dienyl prop-2-enoate is sourced from PubChem (CID 91383520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).