2-(oxolan-3-yl)acetaldehyde

C6H10O2 — CID 54111073

IUPAC2-(oxolan-3-yl)acetaldehyde
SMILESO=CCC1CCOC1
InChIInChI=1S/C6H10O2/c7-3-1-6-2-4-8-5-6/h3,6H,1-2,4-5H2
InChIKeyLWVRZPPVMAXVMJ-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.61
Rot. Bonds2

About 2-(oxolan-3-yl)acetaldehyde

2-(oxolan-3-yl)acetaldehyde (PubChem CID 54111073) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-(oxolan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(oxolan-3-yl)acetaldehyde
PubChem CID54111073
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-(oxolan-3-yl)acetaldehyde
SMILESO=CCC1CCOC1
InChIInChI=1S/C6H10O2/c7-3-1-6-2-4-8-5-6/h3,6H,1-2,4-5H2
InChIKeyLWVRZPPVMAXVMJ-UHFFFAOYSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yl)acetaldehyde?
The IUPAC name of 2-(oxolan-3-yl)acetaldehyde (CID 54111073) is 2-(oxolan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(oxolan-3-yl)acetaldehyde?
The canonical SMILES for 2-(oxolan-3-yl)acetaldehyde is O=CCC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yl)acetaldehyde?
The InChIKey is LWVRZPPVMAXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c7-3-1-6-2-4-8-5-6/h3,6H,1-2,4-5H2.
What are the key properties of 2-(oxolan-3-yl)acetaldehyde?
2-(oxolan-3-yl)acetaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yl)acetaldehyde is sourced from PubChem (CID 54111073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).