5-methoxy-3-methylideneoxolan-2-one

C6H8O3 — CID 23382769

IUPAC5-methoxy-3-methylideneoxolan-2-one
SMILESC=C1CC(OC)OC1=O
InChIInChI=1S/C6H8O3/c1-4-3-5(8-2)9-6(4)7/h5H,1,3H2,2H3
InChIKeyBBMWATFSIIDKFN-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.46
Rot. Bonds1

About 5-methoxy-3-methylideneoxolan-2-one

5-methoxy-3-methylideneoxolan-2-one (PubChem CID 23382769) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-methoxy-3-methylideneoxolan-2-one.

Molecular Properties

Compound Name5-methoxy-3-methylideneoxolan-2-one
PubChem CID23382769
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name5-methoxy-3-methylideneoxolan-2-one
SMILESC=C1CC(OC)OC1=O
InChIInChI=1S/C6H8O3/c1-4-3-5(8-2)9-6(4)7/h5H,1,3H2,2H3
InChIKeyBBMWATFSIIDKFN-UHFFFAOYSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Oxolan-2-yl 2-methylprop-2-enoate
CID 154299
(5-Oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate
CID 90840017
5-Ethoxy-5-methyl-3-methylideneoxolan-2-one
CID 162399203
Carbonic acid ethyl ester 2-oxo-dihydro-furan-(3E)-ylidenemethyl ester
CID 10375167
3-(1-Methoxyethoxycarbonyl)but-3-enoic acid
CID 17856347
5-Hydroxy-3-methylideneoxolan-2-one
CID 18966317
4-O-methyl 1-O-(2-oxo-1,3-dioxolan-4-yl) 2-methylidenebutanedioate
CID 19840677
3-(1-Ethoxyethoxycarbonyl)but-3-enoic acid
CID 20451743
(5-Oxooxolan-2-yl) 2-methylprop-2-enoate
CID 21889432
(2-Oxo-1,3-dioxolan-4-yl) 2-methylidenebutanoate
CID 23504297
(4-Methylidene-5-oxooxolan-2-yl) acetate
CID 51040712
(4-Methylidene-5-oxooxolan-2-yl) propanoate
CID 51040713

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylideneoxolan-2-one?
The IUPAC name of 5-methoxy-3-methylideneoxolan-2-one (CID 23382769) is 5-methoxy-3-methylideneoxolan-2-one.
What is the SMILES notation for 5-methoxy-3-methylideneoxolan-2-one?
The canonical SMILES for 5-methoxy-3-methylideneoxolan-2-one is C=C1CC(OC)OC1=O.
What is the InChIKey of 5-methoxy-3-methylideneoxolan-2-one?
The InChIKey is BBMWATFSIIDKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-4-3-5(8-2)9-6(4)7/h5H,1,3H2,2H3.
What are the key properties of 5-methoxy-3-methylideneoxolan-2-one?
5-methoxy-3-methylideneoxolan-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 5-methoxy-3-methylideneoxolan-2-one is sourced from PubChem (CID 23382769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).