(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate

C12H16O5 — CID 137428547

IUPAC(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1OCCCC1OC(=O)C=C
InChIInChI=1S/C12H16O5/c1-3-11(13)16-8-10-9(6-5-7-15-10)17-12(14)4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyIJYJGSLFMMZSBR-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.99
Rot. Bonds5

About (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate

(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate (PubChem CID 137428547) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
PubChem CID137428547
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCC1OCCCC1OC(=O)C=C
InChIInChI=1S/C12H16O5/c1-3-11(13)16-8-10-9(6-5-7-15-10)17-12(14)4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyIJYJGSLFMMZSBR-UHFFFAOYSA-N
XLogP0.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(1-bicyclo[2.2.1]heptanyloxy)oxan-2-yl]methyl prop-2-enoate
CID 91212407
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate
CID 129143087
oxolan-2-ylmethyl prop-2-enoate;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] prop-2-enoate
CID 68541728
2-methylidenebutanoic acid;oxolan-2-ylmethyl prop-2-enoate
CID 175439549
oxiran-2-ylmethyl prop-2-enoate;sulfane
CID 174424436
[(2S)-2-(oxolan-2-ylmethoxy)propyl] prop-2-enoate
CID 139420667
[(1S,2R,6S,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 129490885
[(1S,2R,6R,7R,8R,9S)-9-(prop-2-enoyloxymethyl)-8-tricyclo[5.2.1.02,6]decanyl]methyl prop-2-enoate
CID 129490884
2-(oxan-2-yl)ethyl prop-2-enoate
CID 141407078

Frequently Asked Questions

What is the IUPAC name of (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate?
The IUPAC name of (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate (CID 137428547) is (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate.
What is the SMILES notation for (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate?
The canonical SMILES for (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate is C=CC(=O)OCC1OCCCC1OC(=O)C=C.
What is the InChIKey of (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate?
The InChIKey is IJYJGSLFMMZSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-3-11(13)16-8-10-9(6-5-7-15-10)17-12(14)4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate?
(3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate has a molecular weight of 240.25 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-prop-2-enoyloxyoxan-2-yl)methyl prop-2-enoate is sourced from PubChem (CID 137428547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).