2-spiro[2.5]octan-8-ylacetaldehyde

C10H16O — CID 155822522

IUPAC2-spiro[2.5]octan-8-ylacetaldehyde
SMILESO=CCC1CCCCC12CC2
InChIInChI=1S/C10H16O/c11-8-4-9-3-1-2-5-10(9)6-7-10/h8-9H,1-7H2
InChIKeyLWXPXJAWQBBCRJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.55
Rot. Bonds2

About 2-spiro[2.5]octan-8-ylacetaldehyde

2-spiro[2.5]octan-8-ylacetaldehyde (PubChem CID 155822522) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-spiro[2.5]octan-8-ylacetaldehyde.

Molecular Properties

Compound Name2-spiro[2.5]octan-8-ylacetaldehyde
PubChem CID155822522
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-spiro[2.5]octan-8-ylacetaldehyde
SMILESO=CCC1CCCCC12CC2
InChIInChI=1S/C10H16O/c11-8-4-9-3-1-2-5-10(9)6-7-10/h8-9H,1-7H2
InChIKeyLWXPXJAWQBBCRJ-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
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-spiro[2.5]octan-8-ylacetaldehyde?
The IUPAC name of 2-spiro[2.5]octan-8-ylacetaldehyde (CID 155822522) is 2-spiro[2.5]octan-8-ylacetaldehyde.
What is the SMILES notation for 2-spiro[2.5]octan-8-ylacetaldehyde?
The canonical SMILES for 2-spiro[2.5]octan-8-ylacetaldehyde is O=CCC1CCCCC12CC2.
What is the InChIKey of 2-spiro[2.5]octan-8-ylacetaldehyde?
The InChIKey is LWXPXJAWQBBCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c11-8-4-9-3-1-2-5-10(9)6-7-10/h8-9H,1-7H2.
What are the key properties of 2-spiro[2.5]octan-8-ylacetaldehyde?
2-spiro[2.5]octan-8-ylacetaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[2.5]octan-8-ylacetaldehyde is sourced from PubChem (CID 155822522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).