2,3,4,7-tetrahydroindene-3a-carbaldehyde

C10H12O — CID 14268500

IUPAC2,3,4,7-tetrahydroindene-3a-carbaldehyde
SMILESO=CC12CC=CCC1=CCC2
InChIInChI=1S/C10H12O/c11-8-10-6-2-1-4-9(10)5-3-7-10/h1-2,5,8H,3-4,6-7H2
InChIKeyKBTWRTYYMRUVIN-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.24
Rot. Bonds1

About 2,3,4,7-tetrahydroindene-3a-carbaldehyde

2,3,4,7-tetrahydroindene-3a-carbaldehyde (PubChem CID 14268500) has the molecular formula C10H12O and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,3,4,7-tetrahydroindene-3a-carbaldehyde.

Molecular Properties

Compound Name2,3,4,7-tetrahydroindene-3a-carbaldehyde
PubChem CID14268500
Molecular FormulaC10H12O
Molecular Weight148.21 g/mol
Exact Mass148.09
IUPAC Name2,3,4,7-tetrahydroindene-3a-carbaldehyde
SMILESO=CC12CC=CCC1=CCC2
InChIInChI=1S/C10H12O/c11-8-10-6-2-1-4-9(10)5-3-7-10/h1-2,5,8H,3-4,6-7H2
InChIKeyKBTWRTYYMRUVIN-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3,4,7-tetrahydroindene-3a-carbaldehyde?
The IUPAC name of 2,3,4,7-tetrahydroindene-3a-carbaldehyde (CID 14268500) is 2,3,4,7-tetrahydroindene-3a-carbaldehyde.
What is the SMILES notation for 2,3,4,7-tetrahydroindene-3a-carbaldehyde?
The canonical SMILES for 2,3,4,7-tetrahydroindene-3a-carbaldehyde is O=CC12CC=CCC1=CCC2.
What is the InChIKey of 2,3,4,7-tetrahydroindene-3a-carbaldehyde?
The InChIKey is KBTWRTYYMRUVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c11-8-10-6-2-1-4-9(10)5-3-7-10/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 2,3,4,7-tetrahydroindene-3a-carbaldehyde?
2,3,4,7-tetrahydroindene-3a-carbaldehyde has a molecular weight of 148.21 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetrahydroindene-3a-carbaldehyde is sourced from PubChem (CID 14268500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).