ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate

C8H10O5 — CID 10375167

IUPACethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate
SMILESCCOC(=O)O/C=C1\CCOC1=O
InChIInChI=1S/C8H10O5/c1-2-11-8(10)13-5-6-3-4-12-7(6)9/h5H,2-4H2,1H3/b6-5+
InChIKeyWHFYGLFMMCQAGH-AATRIKPKSA-N
MW186.16 g/mol
LogP0.99
Rot. Bonds2

About ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate

ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate (PubChem CID 10375167) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate.

Molecular Properties

Compound Nameethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate
PubChem CID10375167
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Nameethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate
SMILESCCOC(=O)O/C=C1\CCOC1=O
InChIInChI=1S/C8H10O5/c1-2-11-8(10)13-5-6-3-4-12-7(6)9/h5H,2-4H2,1H3/b6-5+
InChIKeyWHFYGLFMMCQAGH-AATRIKPKSA-N
XLogP0.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-(2-oxooxolan-3-ylidene)methyl]guanidine
CID 46785860
carbonic acid;diethyl carbonate;1,3-dioxolan-2-one;prop-1-ene
CID 174573576
3-(5-methylhexa-2,4-dienylidene)oxolan-2-one
CID 162816081
ethyl [(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl] carbonate
CID 10515540
ethyl 2-(2-oxopyrrolidin-1-yl)ethenyl carbonate
CID 54519664
ethyl 2-(oxan-4-yl)ethenyl carbonate
CID 67785520
CID 175796855
CID 175796855
(3E)-3-(4-cyclopropyl-4-oxobutylidene)oxolan-2-one
CID 11446867
ethyl (2Z)-2-cyano-2-[(3E)-3-(dimethylaminomethylidene)oxolan-2-ylidene]acetate
CID 12885972
1,5-dioxecane-2,4-dione;ethyl hydrogen carbonate
CID 174534052
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597

Frequently Asked Questions

What is the IUPAC name of ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate?
The IUPAC name of ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate (CID 10375167) is ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate.
What is the SMILES notation for ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate?
The canonical SMILES for ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate is CCOC(=O)O/C=C1\CCOC1=O.
What is the InChIKey of ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate?
The InChIKey is WHFYGLFMMCQAGH-AATRIKPKSA-N. The full InChI is InChI=1S/C8H10O5/c1-2-11-8(10)13-5-6-3-4-12-7(6)9/h5H,2-4H2,1H3/b6-5+.
What are the key properties of ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate?
ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate has a molecular weight of 186.16 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(E)-(2-oxooxolan-3-ylidene)methyl] carbonate is sourced from PubChem (CID 10375167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).