1-oxaspiro[2.5]octane-2-carbaldehyde

C8H12O2 — CID 11137244

IUPAC1-oxaspiro[2.5]octane-2-carbaldehyde
SMILESO=CC1OC12CCCCC2
InChIInChI=1S/C8H12O2/c9-6-7-8(10-7)4-2-1-3-5-8/h6-7H,1-5H2
InChIKeyMSRWYCRIBUXWIE-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.29
Rot. Bonds1

About 1-oxaspiro[2.5]octane-2-carbaldehyde

1-oxaspiro[2.5]octane-2-carbaldehyde (PubChem CID 11137244) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 1-oxaspiro[2.5]octane-2-carbaldehyde.

Molecular Properties

Compound Name1-oxaspiro[2.5]octane-2-carbaldehyde
PubChem CID11137244
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name1-oxaspiro[2.5]octane-2-carbaldehyde
SMILESO=CC1OC12CCCCC2
InChIInChI=1S/C8H12O2/c9-6-7-8(10-7)4-2-1-3-5-8/h6-7H,1-5H2
InChIKeyMSRWYCRIBUXWIE-UHFFFAOYSA-N
XLogP1.29
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-1,4-dioxaspiro[4.5]decane-2,3-dicarbaldehyde
CID 89064448
(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
CID 10855919
(2R)-3,3-dimethyloxirane-2-carbaldehyde
CID 12872198
3,3-dihydroxyoxirane-2-carbaldehyde
CID 90241709
2,2-dimethylcycloheptane-1-carbaldehyde
CID 138734461
3-methyl-5-oxaspiro[3.5]nonane-6-carbaldehyde
CID 130584919
2-(iodomethyl)-1-oxaspiro[2.6]nonane
CID 10400676
2-diazo-1-[(2R)-1-oxaspiro[2.5]octan-2-yl]ethanone
CID 7095252
(6R,7R,14R)-5,12,13,16-tetraoxadispiro[5.0.57.46]hexadecane-14-carbaldehyde
CID 134865551
(5R)-1,3-dioxaspiro[3.5]nonane-5-carbaldehyde
CID 168911046
1-ethenyl-3-methylidene-2-oxaspiro[3.5]nonane
CID 102079286
1-azaspiro[5.5]undecane-3-carbaldehyde
CID 123930535

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[2.5]octane-2-carbaldehyde?
The IUPAC name of 1-oxaspiro[2.5]octane-2-carbaldehyde (CID 11137244) is 1-oxaspiro[2.5]octane-2-carbaldehyde.
What is the SMILES notation for 1-oxaspiro[2.5]octane-2-carbaldehyde?
The canonical SMILES for 1-oxaspiro[2.5]octane-2-carbaldehyde is O=CC1OC12CCCCC2.
What is the InChIKey of 1-oxaspiro[2.5]octane-2-carbaldehyde?
The InChIKey is MSRWYCRIBUXWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-6-7-8(10-7)4-2-1-3-5-8/h6-7H,1-5H2.
What are the key properties of 1-oxaspiro[2.5]octane-2-carbaldehyde?
1-oxaspiro[2.5]octane-2-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[2.5]octane-2-carbaldehyde is sourced from PubChem (CID 11137244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).