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

C11H18O4 — CID 141356899

IUPAC[(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate
SMILESCC1OCO/C1=C/COC(=O)C(C)(C)C
InChIInChI=1S/C11H18O4/c1-8-9(15-7-14-8)5-6-13-10(12)11(2,3)4/h5,8H,6-7H2,1-4H3/b9-5+
InChIKeyRVZKFEIYCFXLBS-WEVVVXLNSA-N
MW214.26 g/mol
LogP1.85
Rot. Bonds2

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

[(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate (PubChem CID 141356899) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate
PubChem CID141356899
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate
SMILESCC1OCO/C1=C/COC(=O)C(C)(C)C
InChIInChI=1S/C11H18O4/c1-8-9(15-7-14-8)5-6-13-10(12)11(2,3)4/h5,8H,6-7H2,1-4H3/b9-5+
InChIKeyRVZKFEIYCFXLBS-WEVVVXLNSA-N
XLogP1.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-5-(2,2-dimethylpropoxymethyl)-3-fluoro-2,5-dihydrofuran-2-yl] acetate
CID 58492893
[(E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl] acetate
CID 135315549
methyl (2Z)-2-[2,5-di(propan-2-yl)-1,3-dioxolan-4-ylidene]acetate
CID 101153860
(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
[(E)-4,5,5-triethoxypent-3-enyl] acetate
CID 44604901
[(4S,5S)-2,2-dimethyl-5-[(Z)-prop-1-enyl]-1,3-dioxolan-4-yl]methyl 2,2-dimethylpropanoate
CID 177542845
[(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
[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
CID 57179833
(5-Tert-butyl-2-oxo-1,3-dioxol-4-yl)methyl acetate
CID 60093127

Frequently Asked Questions

What is the IUPAC name of [(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate?
The IUPAC name of [(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate (CID 141356899) is [(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate?
The canonical SMILES for [(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate is CC1OCO/C1=C/COC(=O)C(C)(C)C.
What is the InChIKey of [(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate?
The InChIKey is RVZKFEIYCFXLBS-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H18O4/c1-8-9(15-7-14-8)5-6-13-10(12)11(2,3)4/h5,8H,6-7H2,1-4H3/b9-5+.
What are the key properties of [(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate?
[(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate has a molecular weight of 214.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-(5-methyl-1,3-dioxolan-4-ylidene)ethyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 141356899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).