2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate

C11H14O8 — CID 22381518

IUPAC2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)OCC1COC(=O)O1
InChIInChI=1S/C11H14O8/c1-7(2)9(12)15-3-4-16-10(13)17-5-8-6-18-11(14)19-8/h8H,1,3-6H2,2H3
InChIKeyRQYWJMLOXPUIBO-UHFFFAOYSA-N
MW274.22 g/mol
LogP0.79
Rot. Bonds6

About 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate

2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate (PubChem CID 22381518) has the molecular formula C11H14O8 and a molecular weight of 274.22 g/mol. Its IUPAC name is 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate
PubChem CID22381518
Molecular FormulaC11H14O8
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)OCC1COC(=O)O1
InChIInChI=1S/C11H14O8/c1-7(2)9(12)15-3-4-16-10(13)17-5-8-6-18-11(14)19-8/h8H,1,3-6H2,2H3
InChIKeyRQYWJMLOXPUIBO-UHFFFAOYSA-N
XLogP0.79
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(2-oxo-1,3-dioxolan-4-yl)ethyl] carbonate
CID 165178075
(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyl propanoate
CID 150514849
(2-oxo-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
CID 157036865
1-O-[(2-methylidene-1,3-dioxolan-4-yl)methyl] 3-O-[(2-oxo-1,3-dioxolan-4-yl)methyl] propanedioate
CID 158834493
bis[(2-oxo-1,3-dioxolan-4-yl)methyl] pentanedioate
CID 59449201
(2-oxo-1,3-dioxolan-4-yl)methyl 2-methoxyacetate
CID 14765868
methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate
CID 54352126
(2-oxo-1,3-dioxolan-4-yl)methyl 6-bromo-2-methylidenehexanoate
CID 164883595
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
(2-oxo-1,3-dioxolan-4-yl)methyl 2,2-difluoroacetate
CID 87396873
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate (CID 22381518) is 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)OCC1COC(=O)O1.
What is the InChIKey of 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate?
The InChIKey is RQYWJMLOXPUIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O8/c1-7(2)9(12)15-3-4-16-10(13)17-5-8-6-18-11(14)19-8/h8H,1,3-6H2,2H3.
What are the key properties of 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate?
2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate has a molecular weight of 274.22 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1,3-dioxolan-4-yl)methoxycarbonyloxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22381518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).