2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde

C10H16O3 — CID 75525546

IUPAC2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde
SMILESO=CCC1CCCCC12OCCO2
InChIInChI=1S/C10H16O3/c11-6-4-9-3-1-2-5-10(9)12-7-8-13-10/h6,9H,1-5,7-8H2
InChIKeyWTZKMSMIJHDHIV-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde

2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde (PubChem CID 75525546) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde
PubChem CID75525546
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde
SMILESO=CCC1CCCCC12OCCO2
InChIInChI=1S/C10H16O3/c11-6-4-9-3-1-2-5-10(9)12-7-8-13-10/h6,9H,1-5,7-8H2
InChIKeyWTZKMSMIJHDHIV-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde (CID 75525546) is 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde is O=CCC1CCCCC12OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde?
The InChIKey is WTZKMSMIJHDHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c11-6-4-9-3-1-2-5-10(9)12-7-8-13-10/h6,9H,1-5,7-8H2.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde?
2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-6-yl)acetaldehyde is sourced from PubChem (CID 75525546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).