oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate

C11H16O4 — CID 134229836

IUPACoxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC1CCCO1
InChIInChI=1S/C11H16O4/c1-3-6-13-8-9(2)11(12)15-10-5-4-7-14-10/h3,10H,1-2,4-8H2
InChIKeyROIBLDFQGAUHBD-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.42
Rot. Bonds6

About oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate

oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 134229836) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Nameoxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID134229836
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameoxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OC1CCCO1
InChIInChI=1S/C11H16O4/c1-3-6-13-8-9(2)11(12)15-10-5-4-7-14-10/h3,10H,1-2,4-8H2
InChIKeyROIBLDFQGAUHBD-UHFFFAOYSA-N
XLogP1.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dioxan-3-yl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229846
oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 66662121
bis(oxolan-2-yl) (E)-but-2-enedioate
CID 70212564
2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
CID 159532508
oxan-2-yl 2-methylbut-2-enoate
CID 68809756
2-methyl-4-(oxan-2-yloxycarbonyl)penta-2,4-dienoic acid
CID 131986537
prop-2-enyl (2S)-oxolane-2-carboxylate
CID 93497313
oxolan-2-yl 2-methylprop-2-eneperoxoate
CID 141130125
2-methyl-5-(oxan-2-yloxycarbonyl)hexa-2,5-dienoic acid;2,3,3-tri(cyclodecyl)prop-2-enoic acid
CID 67600996
oxolan-2-yl 2-ethyl-2,4,4-trimethylhex-5-enoate
CID 90834463
oxan-2-yl 4-methylpent-4-enoate
CID 11008908
2,3-dichloro-4-(oxan-2-yloxy)-4-oxobut-2-enoic acid
CID 154081225

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 134229836) is oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OC1CCCO1.
What is the InChIKey of oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is ROIBLDFQGAUHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-6-13-8-9(2)11(12)15-10-5-4-7-14-10/h3,10H,1-2,4-8H2.
What are the key properties of oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate?
oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 134229836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).