spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde

C12H18O2 — CID 130892311

IUPACspiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde
SMILESO=CC1CCC2(CC3CCC2CC3)O1
InChIInChI=1S/C12H18O2/c13-8-11-5-6-12(14-11)7-9-1-3-10(12)4-2-9/h8-11H,1-7H2
InChIKeyWBUXAPVYQVJYMZ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.31
Rot. Bonds1

About spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde

spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde (PubChem CID 130892311) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde.

Molecular Properties

Compound Namespiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde
PubChem CID130892311
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namespiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde
SMILESO=CC1CCC2(CC3CCC2CC3)O1
InChIInChI=1S/C12H18O2/c13-8-11-5-6-12(14-11)7-9-1-3-10(12)4-2-9/h8-11H,1-7H2
InChIKeyWBUXAPVYQVJYMZ-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.31
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

3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
CID 130584919
1,8-dioxaspiro[4.5]decane-2-carbaldehyde
CID 130584482
8-ethyl-1-oxaspiro[4.5]decane-2-carbaldehyde
CID 130584550
5-butan-2-yl-5-methyloxolane-2-carbaldehyde
CID 130584458
(3S)-6,6-dimethyldioxane-3-carbaldehyde
CID 101485690
2,2-dimethyl-1,3-dioxane-4-carbaldehyde
CID 10953638
spiro[bicyclo[2.2.2]octane-2,5'-oxadiazolidine]-3'-amine
CID 129056826
oxirane-2-carbaldehyde;silane
CID 173157957
2-methoxybicyclo[2.2.2]octane-2-carbaldehyde
CID 126997159
2-ethylspiro[1,3-dioxane-4,2'-bicyclo[2.2.1]heptane]
CID 150408477
3-ethyl-6-oxaspiro[4.5]decane-7-carbaldehyde
CID 130585007
spiro[bicyclo[2.2.1]heptane-2,2'-oxolane]
CID 165155234

Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde?
The IUPAC name of spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde (CID 130892311) is spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde.
What is the SMILES notation for spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde?
The canonical SMILES for spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde is O=CC1CCC2(CC3CCC2CC3)O1.
What is the InChIKey of spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde?
The InChIKey is WBUXAPVYQVJYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-8-11-5-6-12(14-11)7-9-1-3-10(12)4-2-9/h8-11H,1-7H2.
What are the key properties of spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde?
spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde has a molecular weight of 194.27 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.2]octane-2,5'-oxolane]-2'-carbaldehyde is sourced from PubChem (CID 130892311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).