8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde

C12H20O2 — CID 130584550

IUPAC8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
SMILESCCC1CCC2(CC1)CCC(C=O)O2
InChIInChI=1S/C12H20O2/c1-2-10-3-6-12(7-4-10)8-5-11(9-13)14-12/h9-11H,2-8H2,1H3
InChIKeySGBXASJTJOQWSL-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds2

About 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde

8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde (PubChem CID 130584550) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde.

Molecular Properties

Compound Name8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
PubChem CID130584550
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
SMILESCCC1CCC2(CC1)CCC(C=O)O2
InChIInChI=1S/C12H20O2/c1-2-10-3-6-12(7-4-10)8-5-11(9-13)14-12/h9-11H,2-8H2,1H3
InChIKeySGBXASJTJOQWSL-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-ethyl-1-oxaspiro[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

3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
CID 130585007
5-butan-2-yl-5-methyloxolane-2-carbaldehyde
CID 130584458
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
4-ethyl-1-propan-2-ylcyclohexane-1-carbaldehyde
CID 130647227
ethane;4-ethylcyclohexane-1-carbaldehyde
CID 145257925
(1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125451940
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
1,3-diethylcyclopentane-1-carbaldehyde
CID 126998053
4'-ethylspiro[3,4,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]oxazine-2,1'-cyclohexane] 6,6-dioxide
CID 65120641
11-ethyl-7-oxa-15-azadispiro[5.1.58.36]hexadecane
CID 65213732
4-ethyl-1-(ethylaminomethyl)cyclohexan-1-ol
CID 62773711
(4S,6S)-6-ethyl-2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 59093862

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde?
The IUPAC name of 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde (CID 130584550) is 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde.
What is the SMILES notation for 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde?
The canonical SMILES for 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde is CCC1CCC2(CC1)CCC(C=O)O2.
What is the InChIKey of 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde?
The InChIKey is SGBXASJTJOQWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-10-3-6-12(7-4-10)8-5-11(9-13)14-12/h9-11H,2-8H2,1H3.
What are the key properties of 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde?
8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde has a molecular weight of 196.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde is sourced from PubChem (CID 130584550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).