ethyl (2-oxooxolan-3-ylidene)methyl carbonate

C8H10O5 — CID 85125838

IUPACethyl (2-oxooxolan-3-ylidene)methyl carbonate
SMILESCCOC(=O)OC=C1CCOC1=O
InChIInChI=1S/C8H10O5/c1-2-11-8(10)13-5-6-3-4-12-7(6)9/h5H,2-4H2,1H3
InChIKeyWHFYGLFMMCQAGH-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.99
Rot. Bonds2

About ethyl (2-oxooxolan-3-ylidene)methyl carbonate

ethyl (2-oxooxolan-3-ylidene)methyl carbonate (PubChem CID 85125838) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is ethyl (2-oxooxolan-3-ylidene)methyl carbonate.

Molecular Properties

Compound Nameethyl (2-oxooxolan-3-ylidene)methyl carbonate
PubChem CID85125838
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Nameethyl (2-oxooxolan-3-ylidene)methyl carbonate
SMILESCCOC(=O)OC=C1CCOC1=O
InChIInChI=1S/C8H10O5/c1-2-11-8(10)13-5-6-3-4-12-7(6)9/h5H,2-4H2,1H3
InChIKeyWHFYGLFMMCQAGH-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of ethyl (2-oxooxolan-3-ylidene)methyl carbonate?
The IUPAC name of ethyl (2-oxooxolan-3-ylidene)methyl carbonate (CID 85125838) is ethyl (2-oxooxolan-3-ylidene)methyl carbonate.
What is the SMILES notation for ethyl (2-oxooxolan-3-ylidene)methyl carbonate?
The canonical SMILES for ethyl (2-oxooxolan-3-ylidene)methyl carbonate is CCOC(=O)OC=C1CCOC1=O.
What is the InChIKey of ethyl (2-oxooxolan-3-ylidene)methyl carbonate?
The InChIKey is WHFYGLFMMCQAGH-UHFFFAOYSA-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.
What are the key properties of ethyl (2-oxooxolan-3-ylidene)methyl carbonate?
ethyl (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 (2-oxooxolan-3-ylidene)methyl carbonate is sourced from PubChem (CID 85125838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).