6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

C14H16O5 — CID 10967372

IUPAC6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
SMILESO=Cc1c(OC2CCCCO2)ccc2c1OCCO2
InChIInChI=1S/C14H16O5/c15-9-10-11(19-13-3-1-2-6-17-13)4-5-12-14(10)18-8-7-16-12/h4-5,9,13H,1-3,6-8H2
InChIKeyHBAQXDXMVCERGP-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.18
Rot. Bonds3

About 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde

6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde (PubChem CID 10967372) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde.

Molecular Properties

Compound Name6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
PubChem CID10967372
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde
SMILESO=Cc1c(OC2CCCCO2)ccc2c1OCCO2
InChIInChI=1S/C14H16O5/c15-9-10-11(19-13-3-1-2-6-17-13)4-5-12-14(10)18-8-7-16-12/h4-5,9,13H,1-3,6-8H2
InChIKeyHBAQXDXMVCERGP-UHFFFAOYSA-N
XLogP2.18
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde 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 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde?
The IUPAC name of 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde (CID 10967372) is 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde.
What is the SMILES notation for 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde?
The canonical SMILES for 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde is O=Cc1c(OC2CCCCO2)ccc2c1OCCO2.
What is the InChIKey of 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde?
The InChIKey is HBAQXDXMVCERGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c15-9-10-11(19-13-3-1-2-6-17-13)4-5-12-14(10)18-8-7-16-12/h4-5,9,13H,1-3,6-8H2.
What are the key properties of 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde?
6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde has a molecular weight of 264.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-yloxy)-2,3-dihydro-1,4-benzodioxine-5-carbaldehyde is sourced from PubChem (CID 10967372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).