3-[(2R)-oxan-2-yl]oxybutanal

C9H16O3 — CID 18639609

IUPAC3-[(2R)-oxan-2-yl]oxybutanal
SMILESCC(CC=O)O[C@@H]1CCCCO1
InChIInChI=1S/C9H16O3/c1-8(5-6-10)12-9-4-2-3-7-11-9/h6,8-9H,2-5,7H2,1H3/t8?,9-/m1/s1
InChIKeyLTDOPTVIIUBRNB-YGPZHTELSA-N
MW172.22 g/mol
LogP1.51
Rot. Bonds4

About 3-[(2R)-oxan-2-yl]oxybutanal

3-[(2R)-oxan-2-yl]oxybutanal (PubChem CID 18639609) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 3-[(2R)-oxan-2-yl]oxybutanal.

Molecular Properties

Compound Name3-[(2R)-oxan-2-yl]oxybutanal
PubChem CID18639609
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name3-[(2R)-oxan-2-yl]oxybutanal
SMILESCC(CC=O)O[C@@H]1CCCCO1
InChIInChI=1S/C9H16O3/c1-8(5-6-10)12-9-4-2-3-7-11-9/h6,8-9H,2-5,7H2,1H3/t8?,9-/m1/s1
InChIKeyLTDOPTVIIUBRNB-YGPZHTELSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2R)-oxan-2-yl]oxybutanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-oxan-2-yl]oxybutanal?
The IUPAC name of 3-[(2R)-oxan-2-yl]oxybutanal (CID 18639609) is 3-[(2R)-oxan-2-yl]oxybutanal.
What is the SMILES notation for 3-[(2R)-oxan-2-yl]oxybutanal?
The canonical SMILES for 3-[(2R)-oxan-2-yl]oxybutanal is CC(CC=O)O[C@@H]1CCCCO1.
What is the InChIKey of 3-[(2R)-oxan-2-yl]oxybutanal?
The InChIKey is LTDOPTVIIUBRNB-YGPZHTELSA-N. The full InChI is InChI=1S/C9H16O3/c1-8(5-6-10)12-9-4-2-3-7-11-9/h6,8-9H,2-5,7H2,1H3/t8?,9-/m1/s1.
What are the key properties of 3-[(2R)-oxan-2-yl]oxybutanal?
3-[(2R)-oxan-2-yl]oxybutanal has a molecular weight of 172.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-oxan-2-yl]oxybutanal is sourced from PubChem (CID 18639609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).