2-(8-bicyclo[5.1.0]octanyl)acetaldehyde

C10H16O — CID 84649680

IUPAC2-(8-bicyclo[5.1.0]octanyl)acetaldehyde
SMILESO=CCC1C2CCCCCC12
InChIInChI=1S/C10H16O/c11-7-6-10-8-4-2-1-3-5-9(8)10/h7-10H,1-6H2
InChIKeyDOOWNCAMIMBDRH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.40
Rot. Bonds2

About 2-(8-bicyclo[5.1.0]octanyl)acetaldehyde

2-(8-bicyclo[5.1.0]octanyl)acetaldehyde (PubChem CID 84649680) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(8-bicyclo[5.1.0]octanyl)acetaldehyde.

Molecular Properties

Compound Name2-(8-bicyclo[5.1.0]octanyl)acetaldehyde
PubChem CID84649680
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-(8-bicyclo[5.1.0]octanyl)acetaldehyde
SMILESO=CCC1C2CCCCCC12
InChIInChI=1S/C10H16O/c11-7-6-10-8-4-2-1-3-5-9(8)10/h7-10H,1-6H2
InChIKeyDOOWNCAMIMBDRH-UHFFFAOYSA-N
XLogP2.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.40
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-(8-bicyclo[5.1.0]octanyl)acetaldehyde?
The IUPAC name of 2-(8-bicyclo[5.1.0]octanyl)acetaldehyde (CID 84649680) is 2-(8-bicyclo[5.1.0]octanyl)acetaldehyde.
What is the SMILES notation for 2-(8-bicyclo[5.1.0]octanyl)acetaldehyde?
The canonical SMILES for 2-(8-bicyclo[5.1.0]octanyl)acetaldehyde is O=CCC1C2CCCCCC12.
What is the InChIKey of 2-(8-bicyclo[5.1.0]octanyl)acetaldehyde?
The InChIKey is DOOWNCAMIMBDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c11-7-6-10-8-4-2-1-3-5-9(8)10/h7-10H,1-6H2.
What are the key properties of 2-(8-bicyclo[5.1.0]octanyl)acetaldehyde?
2-(8-bicyclo[5.1.0]octanyl)acetaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-bicyclo[5.1.0]octanyl)acetaldehyde is sourced from PubChem (CID 84649680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).