methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate

C13H18O4 — CID 174502981

IUPACmethyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate
SMILESC=CCC(CC=C)(OC(=O)C(=C)C)C(=O)OC
InChIInChI=1S/C13H18O4/c1-6-8-13(9-7-2,12(15)16-5)17-11(14)10(3)4/h6-7H,1-3,8-9H2,4-5H3
InChIKeyAULBKOFUERDEEI-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.17
Rot. Bonds7

About methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate

methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate (PubChem CID 174502981) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate
PubChem CID174502981
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Namemethyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate
SMILESC=CCC(CC=C)(OC(=O)C(=C)C)C(=O)OC
InChIInChI=1S/C13H18O4/c1-6-8-13(9-7-2,12(15)16-5)17-11(14)10(3)4/h6-7H,1-3,8-9H2,4-5H3
InChIKeyAULBKOFUERDEEI-UHFFFAOYSA-N
XLogP2.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate?
The IUPAC name of methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate (CID 174502981) is methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate.
What is the SMILES notation for methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate?
The canonical SMILES for methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate is C=CCC(CC=C)(OC(=O)C(=C)C)C(=O)OC.
What is the InChIKey of methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate?
The InChIKey is AULBKOFUERDEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-6-8-13(9-7-2,12(15)16-5)17-11(14)10(3)4/h6-7H,1-3,8-9H2,4-5H3.
What are the key properties of methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate?
methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate has a molecular weight of 238.28 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylprop-2-enoyloxy)-2-prop-2-enylpent-4-enoate is sourced from PubChem (CID 174502981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).