prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate

C16H20O6 — CID 87416538

IUPACprop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate
SMILESC=CCOC(=O)C(=C)C(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C16H20O6/c1-7-8-20-16(19)12(6)13(22-15(18)11(4)5)9-21-14(17)10(2)3/h7,13H,1-2,4,6,8-9H2,3,5H3
InChIKeyZWHVGESFYFZIGH-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.88
Rot. Bonds9

About prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate

prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate (PubChem CID 87416538) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate
PubChem CID87416538
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Nameprop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate
SMILESC=CCOC(=O)C(=C)C(COC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C16H20O6/c1-7-8-20-16(19)12(6)13(22-15(18)11(4)5)9-21-14(17)10(2)3/h7,13H,1-2,4,6,8-9H2,3,5H3
InChIKeyZWHVGESFYFZIGH-UHFFFAOYSA-N
XLogP1.88
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate?
The IUPAC name of prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate (CID 87416538) is prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate.
What is the SMILES notation for prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate?
The canonical SMILES for prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate is C=CCOC(=O)C(=C)C(COC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate?
The InChIKey is ZWHVGESFYFZIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O6/c1-7-8-20-16(19)12(6)13(22-15(18)11(4)5)9-21-14(17)10(2)3/h7,13H,1-2,4,6,8-9H2,3,5H3.
What are the key properties of prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate?
prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate has a molecular weight of 308.33 g/mol, XLogP of 1.88, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methylidene-3,4-bis(2-methylprop-2-enoyloxy)butanoate is sourced from PubChem (CID 87416538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).