8aH-chromene-4-carbaldehyde

C10H8O2 — CID 57302160

IUPAC8aH-chromene-4-carbaldehyde
SMILESO=CC1=C2C=CC=CC2OC=C1
InChIInChI=1S/C10H8O2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-7,10H
InChIKeyXGLOWQAAEREZIL-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.52
Rot. Bonds1

About 8aH-chromene-4-carbaldehyde

8aH-chromene-4-carbaldehyde (PubChem CID 57302160) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 8aH-chromene-4-carbaldehyde.

Molecular Properties

Compound Name8aH-chromene-4-carbaldehyde
PubChem CID57302160
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name8aH-chromene-4-carbaldehyde
SMILESO=CC1=C2C=CC=CC2OC=C1
InChIInChI=1S/C10H8O2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-7,10H
InChIKeyXGLOWQAAEREZIL-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8aH-chromene-4-carbaldehyde?
The IUPAC name of 8aH-chromene-4-carbaldehyde (CID 57302160) is 8aH-chromene-4-carbaldehyde.
What is the SMILES notation for 8aH-chromene-4-carbaldehyde?
The canonical SMILES for 8aH-chromene-4-carbaldehyde is O=CC1=C2C=CC=CC2OC=C1.
What is the InChIKey of 8aH-chromene-4-carbaldehyde?
The InChIKey is XGLOWQAAEREZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-7,10H.
What are the key properties of 8aH-chromene-4-carbaldehyde?
8aH-chromene-4-carbaldehyde has a molecular weight of 160.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-chromene-4-carbaldehyde is sourced from PubChem (CID 57302160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).