(4-methylidene-5-oxooxolan-2-yl) propanoate

C8H10O4 — CID 51040713

IUPAC(4-methylidene-5-oxooxolan-2-yl) propanoate
SMILESC=C1CC(OC(=O)CC)OC1=O
InChIInChI=1S/C8H10O4/c1-3-6(9)11-7-4-5(2)8(10)12-7/h7H,2-4H2,1H3
InChIKeyQIUFJGNHDHZUPU-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.77
Rot. Bonds2

About (4-methylidene-5-oxooxolan-2-yl) propanoate

(4-methylidene-5-oxooxolan-2-yl) propanoate (PubChem CID 51040713) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is (4-methylidene-5-oxooxolan-2-yl) propanoate.

Molecular Properties

Compound Name(4-methylidene-5-oxooxolan-2-yl) propanoate
PubChem CID51040713
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name(4-methylidene-5-oxooxolan-2-yl) propanoate
SMILESC=C1CC(OC(=O)CC)OC1=O
InChIInChI=1S/C8H10O4/c1-3-6(9)11-7-4-5(2)8(10)12-7/h7H,2-4H2,1H3
InChIKeyQIUFJGNHDHZUPU-UHFFFAOYSA-N
XLogP0.77
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
2,2-Dimethyl-1,3-dioxolane-4-methyl methacrylate
CID 69535483
(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
4-O-methyl 1-O-(2-oxo-1,3-dioxolan-4-yl) 2-methylidenebutanedioate
CID 19840677
3-(1-Butoxyethoxycarbonyl)but-3-enoic acid
CID 20451719
3-(1-Ethoxyethoxycarbonyl)but-3-enoic acid
CID 20451743
1-Ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate
CID 20659324
(5-Oxooxolan-2-yl) 2-methylprop-2-enoate
CID 21889432
3-(1-Hydroxybutoxycarbonyl)but-3-enoic acid
CID 22167124

Frequently Asked Questions

What is the IUPAC name of (4-methylidene-5-oxooxolan-2-yl) propanoate?
The IUPAC name of (4-methylidene-5-oxooxolan-2-yl) propanoate (CID 51040713) is (4-methylidene-5-oxooxolan-2-yl) propanoate.
What is the SMILES notation for (4-methylidene-5-oxooxolan-2-yl) propanoate?
The canonical SMILES for (4-methylidene-5-oxooxolan-2-yl) propanoate is C=C1CC(OC(=O)CC)OC1=O.
What is the InChIKey of (4-methylidene-5-oxooxolan-2-yl) propanoate?
The InChIKey is QIUFJGNHDHZUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-3-6(9)11-7-4-5(2)8(10)12-7/h7H,2-4H2,1H3.
What are the key properties of (4-methylidene-5-oxooxolan-2-yl) propanoate?
(4-methylidene-5-oxooxolan-2-yl) propanoate has a molecular weight of 170.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidene-5-oxooxolan-2-yl) propanoate is sourced from PubChem (CID 51040713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).