2-(oxolan-3-yloxy)acetaldehyde

C6H10O3 — CID 54518073

IUPAC2-(oxolan-3-yloxy)acetaldehyde
SMILESO=CCOC1CCOC1
InChIInChI=1S/C6H10O3/c7-2-4-9-6-1-3-8-5-6/h2,6H,1,3-5H2
InChIKeyHUQXHNWJOAMCEC-UHFFFAOYSA-N
MW130.14 g/mol
LogP-0.01
Rot. Bonds3

About 2-(oxolan-3-yloxy)acetaldehyde

2-(oxolan-3-yloxy)acetaldehyde (PubChem CID 54518073) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)acetaldehyde.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)acetaldehyde
PubChem CID54518073
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2-(oxolan-3-yloxy)acetaldehyde
SMILESO=CCOC1CCOC1
InChIInChI=1S/C6H10O3/c7-2-4-9-6-1-3-8-5-6/h2,6H,1,3-5H2
InChIKeyHUQXHNWJOAMCEC-UHFFFAOYSA-N
XLogP-0.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3S)-oxolan-3-yl] formate
CID 22868233
ethane;3-ethoxyoxolane
CID 142523367
3-propoxyoxolane
CID 14071397
methyl 2-ethyl-4-(oxolan-3-yloxy)but-2-enoate
CID 77100810
3-(oxolan-3-yloxy)oxolane
CID 57449306
(3S)-3-[(3S)-oxolan-3-yl]oxyoxolane
CID 142760220
3-[2-(oxolan-3-yloxy)ethyl]azetidine
CID 107391728
4-(oxolan-3-yloxy)butan-2-one
CID 63559452
3-[(3R)-oxolan-3-yl]oxypropan-1-amine
CID 95969618
(3R)-3-(3-bromopropoxy)oxolane
CID 95240996
2-methoxy-N-[2-(oxolan-3-yloxy)ethyl]ethanamine
CID 63558119
CID 163830493
CID 163830493

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-3-yloxy)acetaldehyde?
The IUPAC name of 2-(oxolan-3-yloxy)acetaldehyde (CID 54518073) is 2-(oxolan-3-yloxy)acetaldehyde.
What is the SMILES notation for 2-(oxolan-3-yloxy)acetaldehyde?
The canonical SMILES for 2-(oxolan-3-yloxy)acetaldehyde is O=CCOC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yloxy)acetaldehyde?
The InChIKey is HUQXHNWJOAMCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c7-2-4-9-6-1-3-8-5-6/h2,6H,1,3-5H2.
What are the key properties of 2-(oxolan-3-yloxy)acetaldehyde?
2-(oxolan-3-yloxy)acetaldehyde has a molecular weight of 130.14 g/mol, XLogP of -0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)acetaldehyde is sourced from PubChem (CID 54518073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).