3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde

C12H20O2 — CID 130585007

IUPAC3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
SMILESCCC1CCC2(CCCC(C=O)O2)C1
InChIInChI=1S/C12H20O2/c1-2-10-5-7-12(8-10)6-3-4-11(9-13)14-12/h9-11H,2-8H2,1H3
InChIKeyNIQWUPIZJDMOOJ-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.70
Rot. Bonds2

About 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde

3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde (PubChem CID 130585007) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
PubChem CID130585007
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
SMILESCCC1CCC2(CCCC(C=O)O2)C1
InChIInChI=1S/C12H20O2/c1-2-10-5-7-12(8-10)6-3-4-11(9-13)14-12/h9-11H,2-8H2,1H3
InChIKeyNIQWUPIZJDMOOJ-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'}

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Related Compounds

8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
CID 130584550
10-ethyl-1-oxaspiro[5.5]undecane
CID 144986649
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
7-ethyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 45092419
1,3-diethylcyclopentane-1-carbaldehyde
CID 126998053
1,8-dioxaspiro[4.5]decane-2-carbaldehyde
CID 130584482
3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
CID 130584919
1-(chloromethyl)-3-ethylcyclohexane-1-carbaldehyde
CID 131189795
(4R,6S)-4-ethyl-7-oxaspiro[5.6]dodec-9-ene
CID 125455009
9-chloro-3-ethyl-6-oxaspiro[4.5]decane
CID 64515030
[3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopentyl]methanamine
CID 102901874
3-ethyl-6-oxa-9-azaspiro[4.5]decan-8-one
CID 130920905

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde?
The IUPAC name of 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde (CID 130585007) is 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde.
What is the SMILES notation for 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde?
The canonical SMILES for 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde is CCC1CCC2(CCCC(C=O)O2)C1.
What is the InChIKey of 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde?
The InChIKey is NIQWUPIZJDMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-10-5-7-12(8-10)6-3-4-11(9-13)14-12/h9-11H,2-8H2,1H3.
What are the key properties of 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde?
3-ethyl-6-oxaspiro[4.5]decane-7-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 3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde is sourced from PubChem (CID 130585007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).