1,8-dioxaspiro[4.5]decane-2-carbaldehyde

C9H14O3 — CID 130584482

IUPAC1,8-dioxaspiro[4.5]decane-2-carbaldehyde
SMILESO=CC1CCC2(CCOCC2)O1
InChIInChI=1S/C9H14O3/c10-7-8-1-2-9(12-8)3-5-11-6-4-9/h7-8H,1-6H2
InChIKeyOHJAOBSUTQXMAQ-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.91
Rot. Bonds1

About 1,8-dioxaspiro[4.5]decane-2-carbaldehyde

1,8-dioxaspiro[4.5]decane-2-carbaldehyde (PubChem CID 130584482) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,8-dioxaspiro[4.5]decane-2-carbaldehyde.

Molecular Properties

Compound Name1,8-dioxaspiro[4.5]decane-2-carbaldehyde
PubChem CID130584482
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1,8-dioxaspiro[4.5]decane-2-carbaldehyde
SMILESO=CC1CCC2(CCOCC2)O1
InChIInChI=1S/C9H14O3/c10-7-8-1-2-9(12-8)3-5-11-6-4-9/h7-8H,1-6H2
InChIKeyOHJAOBSUTQXMAQ-UHFFFAOYSA-N
XLogP0.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1,8-dioxaspiro[4.5]decane-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
CID 130584550
1,9-dioxaspiro[4.6]undecane-2-carboxylic acid
CID 130585145
3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
CID 130585007
2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 10953638
spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde
CID 130892311
tert-butyl (2R,5R)-2-formyl-1-oxa-9-azaspiro[4.5]decane-9-carboxylate
CID 71763342
(3S)-6,6-dimethyldioxane-3-carbaldehyde
CID 101485690
3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
CID 130584919
oxirane-2-carbaldehyde;silane
CID 173157957
2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
CID 130582607
acetaldehyde;2-methyl-6-oxaspiro[3.4]octane
CID 153364433
2,9-dioxaspiro[4.6]undecane
CID 118210519

Frequently Asked Questions

What is the IUPAC name of 1,8-dioxaspiro[4.5]decane-2-carbaldehyde?
The IUPAC name of 1,8-dioxaspiro[4.5]decane-2-carbaldehyde (CID 130584482) is 1,8-dioxaspiro[4.5]decane-2-carbaldehyde.
What is the SMILES notation for 1,8-dioxaspiro[4.5]decane-2-carbaldehyde?
The canonical SMILES for 1,8-dioxaspiro[4.5]decane-2-carbaldehyde is O=CC1CCC2(CCOCC2)O1.
What is the InChIKey of 1,8-dioxaspiro[4.5]decane-2-carbaldehyde?
The InChIKey is OHJAOBSUTQXMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-7-8-1-2-9(12-8)3-5-11-6-4-9/h7-8H,1-6H2.
What are the key properties of 1,8-dioxaspiro[4.5]decane-2-carbaldehyde?
1,8-dioxaspiro[4.5]decane-2-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dioxaspiro[4.5]decane-2-carbaldehyde is sourced from PubChem (CID 130584482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).