4-prop-2-enoyloxybut-2-ynyl prop-2-enoate

C10H10O4 — CID 11030671

IUPAC4-prop-2-enoyloxybut-2-ynyl prop-2-enoate
SMILESC=CC(=O)OCC#CCOC(=O)C=C
InChIInChI=1S/C10H10O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,7-8H2
InChIKeyPJZLHUADMIZUEA-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.45
Rot. Bonds4

About 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate

4-prop-2-enoyloxybut-2-ynyl prop-2-enoate (PubChem CID 11030671) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate.

Molecular Properties

Compound Name4-prop-2-enoyloxybut-2-ynyl prop-2-enoate
PubChem CID11030671
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name4-prop-2-enoyloxybut-2-ynyl prop-2-enoate
SMILESC=CC(=O)OCC#CCOC(=O)C=C
InChIInChI=1S/C10H10O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,7-8H2
InChIKeyPJZLHUADMIZUEA-UHFFFAOYSA-N
XLogP0.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

but-2-ynyl prop-2-enoate
CID 14910874
2-(oxo-λ5-phosphanylidyne)ethyl prop-2-enoate
CID 87772316
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
methane;prop-2-enyl prop-2-enoate
CID 87568259
hydroxymethyl prop-2-enoate;hydrate
CID 88522890
buta-2,3-dienyl prop-2-enoate
CID 91383520
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;sulfane
CID 157093783
[bis(prop-2-enoyloxymethyl)amino]methyl prop-2-enoate
CID 58984040
ethenamine;ethyl prop-2-enoate
CID 22022699
ethane-1,2-diol;prop-2-enoyloxymethyl prop-2-enoate
CID 138520908

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate?
The IUPAC name of 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate (CID 11030671) is 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate.
What is the SMILES notation for 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate?
The canonical SMILES for 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate is C=CC(=O)OCC#CCOC(=O)C=C.
What is the InChIKey of 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate?
The InChIKey is PJZLHUADMIZUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-3-9(11)13-7-5-6-8-14-10(12)4-2/h3-4H,1-2,7-8H2.
What are the key properties of 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate?
4-prop-2-enoyloxybut-2-ynyl prop-2-enoate has a molecular weight of 194.19 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoyloxybut-2-ynyl prop-2-enoate is sourced from PubChem (CID 11030671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).