[(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate

C11H16O5 — CID 141464262

IUPAC[(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate
SMILESCC1OC(=O)O/C1=C/COC(=O)C(C)(C)C
InChIInChI=1S/C11H16O5/c1-7-8(16-10(13)15-7)5-6-14-9(12)11(2,3)4/h5,7H,6H2,1-4H3/b8-5+
InChIKeyMYTMFPZXYVXEEX-VMPITWQZSA-N
MW228.24 g/mol
LogP2.01
Rot. Bonds2

About [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate

[(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate (PubChem CID 141464262) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate
PubChem CID141464262
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name[(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate
SMILESCC1OC(=O)O/C1=C/COC(=O)C(C)(C)C
InChIInChI=1S/C11H16O5/c1-7-8(16-10(13)15-7)5-6-14-9(12)11(2,3)4/h5,7H,6H2,1-4H3/b8-5+
InChIKeyMYTMFPZXYVXEEX-VMPITWQZSA-N
XLogP2.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(S,E)-ethyl 3-(2,2-diMethyl-1,3-dioxolan-4-yl)-2-Methylacrylate
CID 11095961
Repbgwqgpxxiej-fnorwqnlsa-
CID 50936969
[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 135315549
(1s,4s,5r)-4-Methyl-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl 2,2-dimethylpropanoate
CID 129756865
methyl (2Z)-2-(2,5-ditert-butyl-1,3-dioxolan-4-ylidene)acetate
CID 134932020
[(4S,5S)-2,2-dimethyl-5-[(Z)-prop-1-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
CID 177542845
methyl (E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enoate
CID 10856492
(R,E)-ethyl 3-(2,2-diMethyl-1,3-dioxolan-4-yl)-2-Methylacrylate
CID 10976819
Ethyl (2E,4S)-4,5-Isopropylidenedioxy-2-methylpent-2-enoate
CID 14530483
[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate
CID 14633251
(S,E)-3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methylallyl acetate
CID 14633252
1-(5-Methyl-2-oxo-1,3-dioxol-4-yl)ethyl 2-methylpropanoate
CID 57137547

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate (CID 141464262) is [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate is CC1OC(=O)O/C1=C/COC(=O)C(C)(C)C.
What is the InChIKey of [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate?
The InChIKey is MYTMFPZXYVXEEX-VMPITWQZSA-N. The full InChI is InChI=1S/C11H16O5/c1-7-8(16-10(13)15-7)5-6-14-9(12)11(2,3)4/h5,7H,6H2,1-4H3/b8-5+.
What are the key properties of [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate?
[(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate has a molecular weight of 228.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 141464262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).