2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde

C15H18O3 — CID 115010510

IUPAC2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde
SMILESCc1c2c(c(CC=O)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C15H18O3/c1-8-6-12-10(3)14-13(7-9(2)17-14)11(4-5-16)15(12)18-8/h5,8-9H,4,6-7H2,1-3H3
InChIKeyZKDOMYPDSXHSSG-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.38
Rot. Bonds2

About 2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde

2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde (PubChem CID 115010510) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde
PubChem CID115010510
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde
SMILESCc1c2c(c(CC=O)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C15H18O3/c1-8-6-12-10(3)14-13(7-9(2)17-14)11(4-5-16)15(12)18-8/h5,8-9H,4,6-7H2,1-3H3
InChIKeyZKDOMYPDSXHSSG-UHFFFAOYSA-N
XLogP2.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde?
The IUPAC name of 2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde (CID 115010510) is 2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde?
The canonical SMILES for 2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde is Cc1c2c(c(CC=O)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of 2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde?
The InChIKey is ZKDOMYPDSXHSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-8-6-12-10(3)14-13(7-9(2)17-14)11(4-5-16)15(12)18-8/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde?
2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde has a molecular weight of 246.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde is sourced from PubChem (CID 115010510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).