3-(3-methylideneoxolan-2-yl)propanal

C8H12O2 — CID 141425489

IUPAC3-(3-methylideneoxolan-2-yl)propanal
SMILESC=C1CCOC1CCC=O
InChIInChI=1S/C8H12O2/c1-7-4-6-10-8(7)3-2-5-9/h5,8H,1-4,6H2
InChIKeyZHUOMLYJADLJGQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds3

About 3-(3-methylideneoxolan-2-yl)propanal

3-(3-methylideneoxolan-2-yl)propanal (PubChem CID 141425489) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-(3-methylideneoxolan-2-yl)propanal.

Molecular Properties

Compound Name3-(3-methylideneoxolan-2-yl)propanal
PubChem CID141425489
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-(3-methylideneoxolan-2-yl)propanal
SMILESC=C1CCOC1CCC=O
InChIInChI=1S/C8H12O2/c1-7-4-6-10-8(7)3-2-5-9/h5,8H,1-4,6H2
InChIKeyZHUOMLYJADLJGQ-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
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(3H)-Furanone, dihydro-3-methylene-5-propyl-
CID 10773065
2-(3-Methylideneoxan-2-yl)acetaldehyde
CID 130026303
methyl 3-[(2S,5S)-4-methylidene-5-(3-oxopropyl)oxolan-2-yl]propanoate
CID 178184659
3-(5-Methyl-4-methylideneoxolan-2-yl)propanal
CID 18716214
3-[(2S,5S)-5-(3-hydroxypropyl)-3-methylideneoxolan-2-yl]propanal
CID 89620717
3-[(2S,5S)-4-methylidene-5-propyloxolan-2-yl]propanal
CID 90324107
3-[(2S,5S)-5-ethyl-4-methylideneoxolan-2-yl]propanal
CID 90324109
2-(Oxolan-2-ylmethyl)prop-2-enal
CID 117266788
3-[(2S,5S)-5-butyl-3-methylideneoxolan-2-yl]propanal
CID 117711383
3-[(2S)-4-methylideneoxolan-2-yl]propanal
CID 117811375
3-[(2S,5S)-5-methyl-4-methylideneoxolan-2-yl]propanal
CID 117943205
3-[5-(3-Hydroxypropyl)-3-methylideneoxolan-2-yl]propanal
CID 123495565

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylideneoxolan-2-yl)propanal?
The IUPAC name of 3-(3-methylideneoxolan-2-yl)propanal (CID 141425489) is 3-(3-methylideneoxolan-2-yl)propanal.
What is the SMILES notation for 3-(3-methylideneoxolan-2-yl)propanal?
The canonical SMILES for 3-(3-methylideneoxolan-2-yl)propanal is C=C1CCOC1CCC=O.
What is the InChIKey of 3-(3-methylideneoxolan-2-yl)propanal?
The InChIKey is ZHUOMLYJADLJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-7-4-6-10-8(7)3-2-5-9/h5,8H,1-4,6H2.
What are the key properties of 3-(3-methylideneoxolan-2-yl)propanal?
3-(3-methylideneoxolan-2-yl)propanal has a molecular weight of 140.18 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylideneoxolan-2-yl)propanal is sourced from PubChem (CID 141425489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).