1-prop-2-enoyloxybutyl 2-methylprop-2-enoate

C11H16O4 — CID 19702428

IUPAC1-prop-2-enoyloxybutyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC(CCC)OC(=O)C(=C)C
InChIInChI=1S/C11H16O4/c1-5-7-10(14-9(12)6-2)15-11(13)8(3)4/h6,10H,2-3,5,7H2,1,4H3
InChIKeyWELWLZUZZRJPCR-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.96
Rot. Bonds6

About 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate

1-prop-2-enoyloxybutyl 2-methylprop-2-enoate (PubChem CID 19702428) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-prop-2-enoyloxybutyl 2-methylprop-2-enoate
PubChem CID19702428
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-prop-2-enoyloxybutyl 2-methylprop-2-enoate
SMILESC=CC(=O)OC(CCC)OC(=O)C(=C)C
InChIInChI=1S/C11H16O4/c1-5-7-10(14-9(12)6-2)15-11(13)8(3)4/h6,10H,2-3,5,7H2,1,4H3
InChIKeyWELWLZUZZRJPCR-UHFFFAOYSA-N
XLogP1.96
TPSA52.60 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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate?
The IUPAC name of 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate (CID 19702428) is 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate?
The canonical SMILES for 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate is C=CC(=O)OC(CCC)OC(=O)C(=C)C.
What is the InChIKey of 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate?
The InChIKey is WELWLZUZZRJPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-7-10(14-9(12)6-2)15-11(13)8(3)4/h6,10H,2-3,5,7H2,1,4H3.
What are the key properties of 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate?
1-prop-2-enoyloxybutyl 2-methylprop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoyloxybutyl 2-methylprop-2-enoate is sourced from PubChem (CID 19702428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).