2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde

C7H10O — CID 131010906

IUPAC2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde
SMILESO=CCC12CC(C1)C2
InChIInChI=1S/C7H10O/c8-2-1-7-3-6(4-7)5-7/h2,6H,1,3-5H2
InChIKeyJSACPFWAGNVKKU-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.38
Rot. Bonds2

About 2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde

2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde (PubChem CID 131010906) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde.

Molecular Properties

Compound Name2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde
PubChem CID131010906
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde
SMILESO=CCC12CC(C1)C2
InChIInChI=1S/C7H10O/c8-2-1-7-3-6(4-7)5-7/h2,6H,1,3-5H2
InChIKeyJSACPFWAGNVKKU-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.38
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-(1-bicyclo[1.1.1]pentanyl)acetaldehyde?
The IUPAC name of 2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde (CID 131010906) is 2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde.
What is the SMILES notation for 2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde?
The canonical SMILES for 2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde is O=CCC12CC(C1)C2.
What is the InChIKey of 2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde?
The InChIKey is JSACPFWAGNVKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c8-2-1-7-3-6(4-7)5-7/h2,6H,1,3-5H2.
What are the key properties of 2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde?
2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde has a molecular weight of 110.16 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[1.1.1]pentanyl)acetaldehyde is sourced from PubChem (CID 131010906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).