2-cyclohexa-1,5-dien-1-ylacetaldehyde

C8H10O — CID 18362480

IUPAC2-cyclohexa-1,5-dien-1-ylacetaldehyde
SMILESO=CCC1=CCCC=C1
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h2,4-5,7H,1,3,6H2
InChIKeyGAAYZEQHIQCDHA-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.85
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-ylacetaldehyde

2-cyclohexa-1,5-dien-1-ylacetaldehyde (PubChem CID 18362480) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-ylacetaldehyde.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-ylacetaldehyde
PubChem CID18362480
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-cyclohexa-1,5-dien-1-ylacetaldehyde
SMILESO=CCC1=CCCC=C1
InChIInChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h2,4-5,7H,1,3,6H2
InChIKeyGAAYZEQHIQCDHA-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-cyclohexa-1,5-dien-1-ylacetaldehyde?
The IUPAC name of 2-cyclohexa-1,5-dien-1-ylacetaldehyde (CID 18362480) is 2-cyclohexa-1,5-dien-1-ylacetaldehyde.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-ylacetaldehyde?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-ylacetaldehyde is O=CCC1=CCCC=C1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-ylacetaldehyde?
The InChIKey is GAAYZEQHIQCDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h2,4-5,7H,1,3,6H2.
What are the key properties of 2-cyclohexa-1,5-dien-1-ylacetaldehyde?
2-cyclohexa-1,5-dien-1-ylacetaldehyde has a molecular weight of 122.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-ylacetaldehyde is sourced from PubChem (CID 18362480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).