methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate

C8H10O5 — CID 54352126

IUPACmethyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate
SMILESC=C(CC1COC(=O)O1)C(=O)OC
InChIInChI=1S/C8H10O5/c1-5(7(9)11-2)3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3
InChIKeyUGMZCAONHOTYSN-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.64
Rot. Bonds3

About methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate

methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate (PubChem CID 54352126) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate
PubChem CID54352126
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate
SMILESC=C(CC1COC(=O)O1)C(=O)OC
InChIInChI=1S/C8H10O5/c1-5(7(9)11-2)3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3
InChIKeyUGMZCAONHOTYSN-UHFFFAOYSA-N
XLogP0.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
The IUPAC name of methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate (CID 54352126) is methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate is C=C(CC1COC(=O)O1)C(=O)OC.
What is the InChIKey of methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
The InChIKey is UGMZCAONHOTYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c1-5(7(9)11-2)3-6-4-12-8(10)13-6/h6H,1,3-4H2,2H3.
What are the key properties of methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate?
methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate has a molecular weight of 186.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate is sourced from PubChem (CID 54352126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).