(4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate

C9H12O5 — CID 130379761

IUPAC(4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate
SMILESC=C1CC(COC(=O)COC)OC1=O
InChIInChI=1S/C9H12O5/c1-6-3-7(14-9(6)11)4-13-8(10)5-12-2/h7H,1,3-5H2,2H3
InChIKeyXNFCUAYUCUSEBX-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.05
Rot. Bonds4

About (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate

(4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate (PubChem CID 130379761) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate.

Molecular Properties

Compound Name(4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate
PubChem CID130379761
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate
SMILESC=C1CC(COC(=O)COC)OC1=O
InChIInChI=1S/C9H12O5/c1-6-3-7(14-9(6)11)4-13-8(10)5-12-2/h7H,1,3-5H2,2H3
InChIKeyXNFCUAYUCUSEBX-UHFFFAOYSA-N
XLogP0.05
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-Methylidene-5-oxooxolan-2-yl)methyl acetate
CID 52947032
Diethyl 2-methylene-4-oxopentanedioate
CID 155619935
Methyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate
CID 69669904
Ethyl 2-(1,4-dioxan-2-ylmethyl)prop-2-enoate
CID 162408665
((2S,3S)-2-Methyl-4-methylidene-5-oxo-oxolan-3-yl) acetate
CID 186885
((2R,3S)-2-Methyl-4-methylidene-5-oxooxolan-3-yl) acetate
CID 188138
Oxolan-2-ylmethyl 3-methyl-2-oxobut-3-enoate
CID 21299975
2-(2-Methylprop-2-enoyloxy)ethyl 5-oxooxolane-2-carboxylate
CID 21863707
(5-Oxotetrahydrofuran-2-yl)methyl methacrylate
CID 21863821
Methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate
CID 54185365
Methyl 2-[(2-oxo-1,3-dioxolan-4-yl)methyl]prop-2-enoate
CID 54352126
2-Methylprop-2-enoyl oxolane-2-carboxylate
CID 57055507

Frequently Asked Questions

What is the IUPAC name of (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate?
The IUPAC name of (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate (CID 130379761) is (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate.
What is the SMILES notation for (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate?
The canonical SMILES for (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate is C=C1CC(COC(=O)COC)OC1=O.
What is the InChIKey of (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate?
The InChIKey is XNFCUAYUCUSEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-6-3-7(14-9(6)11)4-13-8(10)5-12-2/h7H,1,3-5H2,2H3.
What are the key properties of (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate?
(4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate has a molecular weight of 200.19 g/mol, XLogP of 0.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidene-5-oxooxolan-2-yl)methyl 2-methoxyacetate is sourced from PubChem (CID 130379761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).