(3E)-3-(methoxymethylidene)oxolan-2-one

C6H8O3 — CID 5357962

IUPAC(3E)-3-(methoxymethylidene)oxolan-2-one
SMILESCO/C=C1\CCOC1=O
InChIInChI=1S/C6H8O3/c1-8-4-5-2-3-9-6(5)7/h4H,2-3H2,1H3/b5-4+
InChIKeyVDPFGJMFLFVVJZ-SNAWJCMRSA-N
MW128.13 g/mol
LogP0.46
Rot. Bonds1

About (3E)-3-(methoxymethylidene)oxolan-2-one

(3E)-3-(methoxymethylidene)oxolan-2-one (PubChem CID 5357962) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (3E)-3-(methoxymethylidene)oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-(methoxymethylidene)oxolan-2-one
PubChem CID5357962
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(3E)-3-(methoxymethylidene)oxolan-2-one
SMILESCO/C=C1\CCOC1=O
InChIInChI=1S/C6H8O3/c1-8-4-5-2-3-9-6(5)7/h4H,2-3H2,1H3/b5-4+
InChIKeyVDPFGJMFLFVVJZ-SNAWJCMRSA-N
XLogP0.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

alpha-Methylene butyrolactone
CID 68352
Ethyl 2-methylidenebutanoate
CID 291416
(3E,3'E)-3,3'-{Propane-1,3-diylbis[oxy(E)methanylylidene]}di(oxolan-2-one)
CID 12441192
(3E)-3-(trimethylsilyloxymethylidene)oxolan-2-one
CID 12712905
2(3H)-Furanone, dihydro-4-methyl-3-methylene-, (R)-
CID 11815838
(4S)-4-methyl-3-methylideneoxolan-2-one
CID 13291800
Methyl 4-methoxy-2-methylidenebutanoate
CID 25097622
(3E)-3-[2-[(E)-(2-oxooxolan-3-ylidene)methoxy]ethoxymethylidene]oxolan-2-one
CID 90678735
(3E)-3-[4-[(E)-(2-oxooxolan-3-ylidene)methoxy]butoxymethylidene]oxolan-2-one
CID 90678736
(3E)-3-(ethoxymethylidene)oxolan-2-one
CID 13587404
4-methyl-3-methylenedihydrofuran-2(3H)-one
CID 10844358
2(3H)-Furanone, dihydro-4,4-dimethyl-3-methylene-
CID 11116068

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(methoxymethylidene)oxolan-2-one?
The IUPAC name of (3E)-3-(methoxymethylidene)oxolan-2-one (CID 5357962) is (3E)-3-(methoxymethylidene)oxolan-2-one.
What is the SMILES notation for (3E)-3-(methoxymethylidene)oxolan-2-one?
The canonical SMILES for (3E)-3-(methoxymethylidene)oxolan-2-one is CO/C=C1\CCOC1=O.
What is the InChIKey of (3E)-3-(methoxymethylidene)oxolan-2-one?
The InChIKey is VDPFGJMFLFVVJZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H8O3/c1-8-4-5-2-3-9-6(5)7/h4H,2-3H2,1H3/b5-4+.
What are the key properties of (3E)-3-(methoxymethylidene)oxolan-2-one?
(3E)-3-(methoxymethylidene)oxolan-2-one has a molecular weight of 128.13 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(methoxymethylidene)oxolan-2-one is sourced from PubChem (CID 5357962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).