2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde

C7H8O3 — CID 130035710

IUPAC2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde
SMILESC=C1C(=O)OCC1CC=O
InChIInChI=1S/C7H8O3/c1-5-6(2-3-8)4-10-7(5)9/h3,6H,1-2,4H2
InChIKeyDCWISEAQJAUTHX-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.30
Rot. Bonds2

About 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde

2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde (PubChem CID 130035710) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde
PubChem CID130035710
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde
SMILESC=C1C(=O)OCC1CC=O
InChIInChI=1S/C7H8O3/c1-5-6(2-3-8)4-10-7(5)9/h3,6H,1-2,4H2
InChIKeyDCWISEAQJAUTHX-UHFFFAOYSA-N
XLogP0.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789118
(4R,5S)-4,5-dimethyl-3-methylideneoxolan-2-one
CID 12789119
(4R)-3-Ethylidene-4-(2-oxoethyl)tetrahydrofuran-2-one
CID 10080588
4,5-Dimethyl-3-methylideneoxolan-2-one
CID 12789117
2-[(3R)-4-methylidene-5-oxooxolan-3-yl]acetaldehyde
CID 101535092
2-[(4Z)-4-(chloromethylidene)-5-oxooxolan-3-yl]acetaldehyde
CID 15331446
2-[(4Z)-4-(bromomethylidene)-5-oxooxolan-3-yl]acetaldehyde
CID 15331447
InChI=1/C7H10O2/c1-4-5(2)7(8)9-6(4)3/h4,6H,2H2,1,3H3/t4-,6-/m1/s
CID 5324907
(4R)-3-methylidene-4-propan-2-yloxolan-2-one
CID 11412432
(4R)-4-ethyl-3-methylideneoxolan-2-one
CID 131854393
4-Ethyl-3-methylideneoxolan-2-one
CID 13586119
3-Methylidene-4-propan-2-yloxolan-2-one
CID 53999592

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde?
The IUPAC name of 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde (CID 130035710) is 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde is C=C1C(=O)OCC1CC=O.
What is the InChIKey of 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde?
The InChIKey is DCWISEAQJAUTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5-6(2-3-8)4-10-7(5)9/h3,6H,1-2,4H2.
What are the key properties of 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde?
2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde has a molecular weight of 140.14 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylidene-5-oxooxolan-3-yl)acetaldehyde is sourced from PubChem (CID 130035710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).