4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate

C11H16O5 — CID 66627973

IUPAC4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC1COC(=O)O1
InChIInChI=1S/C11H16O5/c1-8(2)10(12)14-6-4-3-5-9-7-15-11(13)16-9/h9H,1,3-7H2,2H3
InChIKeySSFCJGBLXZMMJU-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.81
Rot. Bonds6

About 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate

4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate (PubChem CID 66627973) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate
PubChem CID66627973
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCC1COC(=O)O1
InChIInChI=1S/C11H16O5/c1-8(2)10(12)14-6-4-3-5-9-7-15-11(13)16-9/h9H,1,3-7H2,2H3
InChIKeySSFCJGBLXZMMJU-UHFFFAOYSA-N
XLogP1.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate?
The IUPAC name of 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate (CID 66627973) is 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate?
The canonical SMILES for 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCC1COC(=O)O1.
What is the InChIKey of 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate?
The InChIKey is SSFCJGBLXZMMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-8(2)10(12)14-6-4-3-5-9-7-15-11(13)16-9/h9H,1,3-7H2,2H3.
What are the key properties of 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate?
4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate has a molecular weight of 228.24 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate is sourced from PubChem (CID 66627973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).