3-(5-methyl-4-methylideneoxolan-2-yl)propanal

C9H14O2 — CID 18716214

IUPAC3-(5-methyl-4-methylideneoxolan-2-yl)propanal
SMILESC=C1CC(CCC=O)OC1C
InChIInChI=1S/C9H14O2/c1-7-6-9(4-3-5-10)11-8(7)2/h5,8-9H,1,3-4,6H2,2H3
InChIKeyFOQMNFONVOWFEN-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds3

About 3-(5-methyl-4-methylideneoxolan-2-yl)propanal

3-(5-methyl-4-methylideneoxolan-2-yl)propanal (PubChem CID 18716214) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(5-methyl-4-methylideneoxolan-2-yl)propanal.

Molecular Properties

Compound Name3-(5-methyl-4-methylideneoxolan-2-yl)propanal
PubChem CID18716214
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name3-(5-methyl-4-methylideneoxolan-2-yl)propanal
SMILESC=C1CC(CCC=O)OC1C
InChIInChI=1S/C9H14O2/c1-7-6-9(4-3-5-10)11-8(7)2/h5,8-9H,1,3-4,6H2,2H3
InChIKeyFOQMNFONVOWFEN-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-4-methylideneoxolan-2-yl)propanal?
The IUPAC name of 3-(5-methyl-4-methylideneoxolan-2-yl)propanal (CID 18716214) is 3-(5-methyl-4-methylideneoxolan-2-yl)propanal.
What is the SMILES notation for 3-(5-methyl-4-methylideneoxolan-2-yl)propanal?
The canonical SMILES for 3-(5-methyl-4-methylideneoxolan-2-yl)propanal is C=C1CC(CCC=O)OC1C.
What is the InChIKey of 3-(5-methyl-4-methylideneoxolan-2-yl)propanal?
The InChIKey is FOQMNFONVOWFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-6-9(4-3-5-10)11-8(7)2/h5,8-9H,1,3-4,6H2,2H3.
What are the key properties of 3-(5-methyl-4-methylideneoxolan-2-yl)propanal?
3-(5-methyl-4-methylideneoxolan-2-yl)propanal has a molecular weight of 154.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-4-methylideneoxolan-2-yl)propanal is sourced from PubChem (CID 18716214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).