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

C11H16O6 — CID 101390856

IUPACtert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate
SMILESCC1OC(=O)O/C1=C/COC(=O)OC(C)(C)C
InChIInChI=1S/C11H16O6/c1-7-8(16-10(13)15-7)5-6-14-9(12)17-11(2,3)4/h5,7H,6H2,1-4H3/b8-5+
InChIKeyZIHQXERSULKRFH-VMPITWQZSA-N
MW244.24 g/mol
LogP2.38
Rot. Bonds2

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

tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate (PubChem CID 101390856) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate
PubChem CID101390856
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Nametert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate
SMILESCC1OC(=O)O/C1=C/COC(=O)OC(C)(C)C
InChIInChI=1S/C11H16O6/c1-7-8(16-10(13)15-7)5-6-14-9(12)17-11(2,3)4/h5,7H,6H2,1-4H3/b8-5+
InChIKeyZIHQXERSULKRFH-VMPITWQZSA-N
XLogP2.38
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Ethylidene-5-(1-methoxyethenyl)-1,3-dioxolan-2-one
CID 91192097
(4E)-4-pent-4-en-2-ylidene-1,3-dioxolan-2-one
CID 11159430
[(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
methyl 3-methylbut-2-enyl carbonate;4-methyl-2-[(E)-pent-2-en-2-yl]-1,3-dioxolane
CID 20455976
[(1Z)-1-(5-methyl-1,3-dioxolan-4-ylidene)propan-2-yl] propan-2-yl carbonate
CID 57179833
(5Z)-4-methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 59083880
Tert-butyl 1-(2,3-dihydrofuran-5-yl)ethyl carbonate
CID 68562569
[3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methylprop-2-enyl] acetate
CID 70983602
[3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylprop-2-enyl] acetate
CID 70983604
4-Methyl-5-[(5-methyl-2-oxo-1,3-dioxolan-4-yl)methylidene]-1,3-dioxolan-2-one
CID 72511448
4-Pent-4-en-2-ylidene-1,3-dioxolan-2-one
CID 85419896

Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate?
The IUPAC name of tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate (CID 101390856) is tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate.
What is the SMILES notation for tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate?
The canonical SMILES for tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate is CC1OC(=O)O/C1=C/COC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate?
The InChIKey is ZIHQXERSULKRFH-VMPITWQZSA-N. The full InChI is InChI=1S/C11H16O6/c1-7-8(16-10(13)15-7)5-6-14-9(12)17-11(2,3)4/h5,7H,6H2,1-4H3/b8-5+.
What are the key properties of tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate?
tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate has a molecular weight of 244.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2E)-2-(5-methyl-2-oxo-1,3-dioxolan-4-ylidene)ethyl] carbonate is sourced from PubChem (CID 101390856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).