2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate

C9H14O4 — CID 10899362

IUPAC2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate
SMILESCOCCOC(=O)/C=C1\CCCO1
InChIInChI=1S/C9H14O4/c1-11-5-6-13-9(10)7-8-3-2-4-12-8/h7H,2-6H2,1H3/b8-7+
InChIKeyAXTFNTCUYVGIJZ-BQYQJAHWSA-N
MW186.21 g/mol
LogP0.87
Rot. Bonds4

About 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate

2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate (PubChem CID 10899362) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate.

Molecular Properties

Compound Name2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate
PubChem CID10899362
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate
SMILESCOCCOC(=O)/C=C1\CCCO1
InChIInChI=1S/C9H14O4/c1-11-5-6-13-9(10)7-8-3-2-4-12-8/h7H,2-6H2,1H3/b8-7+
InChIKeyAXTFNTCUYVGIJZ-BQYQJAHWSA-N
XLogP0.87
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (2E)-2-(5-methyloxolan-2-ylidene)acetate
CID 5387115
ethyl (2Z)-2-fluoro-2-(4-methoxyoxolan-2-ylidene)acetate
CID 135010848
Ethyl E-(dihydrofuran-2-ylidene)acetate
CID 11084120
methyl (2E)-2-[(3S,4S)-4-methoxy-3-methyloxolan-2-ylidene]acetate
CID 11286887
ethyl (2E)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 12101794
3-ethoxy-2-methyl-2H-furan-5-one
CID 12427224
Methyl E-(dihydrofuran-2-ylidene)acetate
CID 12999931
tert-butyl (2E)-2-(oxolan-2-ylidene)acetate
CID 13430113
(2S)-3-but-3-en-2-yloxy-2-methyl-2H-furan-5-one
CID 134972768
4-Methoxy-5-methyl-2(5H)-furanone
CID 11469088
(3-Methoxy-5-oxo-2-prop-1-en-2-ylfuran-2-yl) acetate
CID 57000614
ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 10877759

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate?
The IUPAC name of 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate (CID 10899362) is 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate.
What is the SMILES notation for 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate?
The canonical SMILES for 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate is COCCOC(=O)/C=C1\CCCO1.
What is the InChIKey of 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate?
The InChIKey is AXTFNTCUYVGIJZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H14O4/c1-11-5-6-13-9(10)7-8-3-2-4-12-8/h7H,2-6H2,1H3/b8-7+.
What are the key properties of 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate?
2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate has a molecular weight of 186.21 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (2E)-2-(oxolan-2-ylidene)acetate is sourced from PubChem (CID 10899362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).