2-(4-methylideneoxolan-3-yl)acetaldehyde

C7H10O2 — CID 13113529

IUPAC2-(4-methylideneoxolan-3-yl)acetaldehyde
SMILESC=C1COCC1CC=O
InChIInChI=1S/C7H10O2/c1-6-4-9-5-7(6)2-3-8/h3,7H,1-2,4-5H2
InChIKeyJZULIMULVAAYHY-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.78
Rot. Bonds2

About 2-(4-methylideneoxolan-3-yl)acetaldehyde

2-(4-methylideneoxolan-3-yl)acetaldehyde (PubChem CID 13113529) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(4-methylideneoxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4-methylideneoxolan-3-yl)acetaldehyde
PubChem CID13113529
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name2-(4-methylideneoxolan-3-yl)acetaldehyde
SMILESC=C1COCC1CC=O
InChIInChI=1S/C7H10O2/c1-6-4-9-5-7(6)2-3-8/h3,7H,1-2,4-5H2
InChIKeyJZULIMULVAAYHY-UHFFFAOYSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3R)-4-methylidene-5-oxooxolan-3-yl]acetaldehyde
CID 101535092
2-[(4E)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde
CID 133676639
2-[(3S)-4-methylidene-5-oxooxolan-3-yl]acetaldehyde
CID 141354265
2-[(4Z)-4-(trimethylsilylmethylidene)oxolan-3-yl]acetaldehyde
CID 11816464
2-[(4Z)-4-(2-methoxyethylidene)oxolan-3-yl]acetaldehyde
CID 101338935
2-(Oxolan-3-yl)prop-2-enal
CID 117266740
2-(4-Methylidene-5-oxooxolan-3-yl)acetaldehyde
CID 130035710
2-[(4Z)-4-ethylideneoxolan-3-yl]acetaldehyde
CID 133666944
2-[(4Z)-4-(triethylsilylmethylidene)oxolan-3-yl]acetaldehyde
CID 177410306

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylideneoxolan-3-yl)acetaldehyde?
The IUPAC name of 2-(4-methylideneoxolan-3-yl)acetaldehyde (CID 13113529) is 2-(4-methylideneoxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(4-methylideneoxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-(4-methylideneoxolan-3-yl)acetaldehyde is C=C1COCC1CC=O.
What is the InChIKey of 2-(4-methylideneoxolan-3-yl)acetaldehyde?
The InChIKey is JZULIMULVAAYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6-4-9-5-7(6)2-3-8/h3,7H,1-2,4-5H2.
What are the key properties of 2-(4-methylideneoxolan-3-yl)acetaldehyde?
2-(4-methylideneoxolan-3-yl)acetaldehyde has a molecular weight of 126.16 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylideneoxolan-3-yl)acetaldehyde is sourced from PubChem (CID 13113529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).