4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde

C13H12O3 — CID 19971766

IUPAC4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde
SMILESO=CC1=CC2=C(OC=CC2)C2C=CCOC12
InChIInChI=1S/C13H12O3/c14-8-10-7-9-3-1-5-15-12(9)11-4-2-6-16-13(10)11/h1-2,4-5,7-8,11,13H,3,6H2
InChIKeyPTOYQJHEHWUXEL-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.88
Rot. Bonds1

About 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde

4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde (PubChem CID 19971766) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde.

Molecular Properties

Compound Name4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde
PubChem CID19971766
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde
SMILESO=CC1=CC2=C(OC=CC2)C2C=CCOC12
InChIInChI=1S/C13H12O3/c14-8-10-7-9-3-1-5-15-12(9)11-4-2-6-16-13(10)11/h1-2,4-5,7-8,11,13H,3,6H2
InChIKeyPTOYQJHEHWUXEL-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde?
The IUPAC name of 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde (CID 19971766) is 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde.
What is the SMILES notation for 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde?
The canonical SMILES for 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde is O=CC1=CC2=C(OC=CC2)C2C=CCOC12.
What is the InChIKey of 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde?
The InChIKey is PTOYQJHEHWUXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c14-8-10-7-9-3-1-5-15-12(9)11-4-2-6-16-13(10)11/h1-2,4-5,7-8,11,13H,3,6H2.
What are the key properties of 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde?
4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6a,8,10a-tetrahydropyrano[2,3-h]chromene-6-carbaldehyde is sourced from PubChem (CID 19971766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).