3-ethyloxetane-3-carbaldehyde

C6H10O2 — CID 53484567

IUPAC3-ethyloxetane-3-carbaldehyde
SMILESCCC1(C=O)COC1
InChIInChI=1S/C6H10O2/c1-2-6(3-7)4-8-5-6/h3H,2,4-5H2,1H3
InChIKeyWBBLZANXGQZNNM-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.61
Rot. Bonds2

About 3-ethyloxetane-3-carbaldehyde

3-ethyloxetane-3-carbaldehyde (PubChem CID 53484567) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 3-ethyloxetane-3-carbaldehyde.

Molecular Properties

Compound Name3-ethyloxetane-3-carbaldehyde
PubChem CID53484567
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name3-ethyloxetane-3-carbaldehyde
SMILESCCC1(C=O)COC1
InChIInChI=1S/C6H10O2/c1-2-6(3-7)4-8-5-6/h3H,2,4-5H2,1H3
InChIKeyWBBLZANXGQZNNM-UHFFFAOYSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.61
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-Methyloxetane-3-carbaldehyde
CID 18962468
2-(3-Methyloxetan-3-yl)acetaldehyde
CID 84081981
2-(Methoxymethyl)-2-methylbutanal
CID 131050465
2-Methyl-2-(oxetan-3-yl)propanal
CID 178200735
alpha-Methyl alpha-ethyl propiolactone
CID 14318253
r-alpha-Methyl-alpha-ethyl-beta-propiolactone
CID 102402060
3-t-Butyl-3-formyl-oxetane
CID 14064597
3-Formyl-3-n-propyloxetane
CID 15021998
3-Propan-2-yloxetane-3-carbaldehyde
CID 23042572
(3-Ethyloxetan-3-yl)methanone;yttrium
CID 58672005
4-Methoxy-3,3-dimethyl-2-oxobutanal
CID 89534408
2-(3-Methyloxetan-3-yl)-2-oxoacetaldehyde
CID 178655803

Frequently Asked Questions

What is the IUPAC name of 3-ethyloxetane-3-carbaldehyde?
The IUPAC name of 3-ethyloxetane-3-carbaldehyde (CID 53484567) is 3-ethyloxetane-3-carbaldehyde.
What is the SMILES notation for 3-ethyloxetane-3-carbaldehyde?
The canonical SMILES for 3-ethyloxetane-3-carbaldehyde is CCC1(C=O)COC1.
What is the InChIKey of 3-ethyloxetane-3-carbaldehyde?
The InChIKey is WBBLZANXGQZNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-6(3-7)4-8-5-6/h3H,2,4-5H2,1H3.
What are the key properties of 3-ethyloxetane-3-carbaldehyde?
3-ethyloxetane-3-carbaldehyde has a molecular weight of 114.14 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyloxetane-3-carbaldehyde is sourced from PubChem (CID 53484567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).