2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde

C9H16O2 — CID 14982332

IUPAC2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde
SMILESC=C(C)CC(C)(C)OCC=O
InChIInChI=1S/C9H16O2/c1-8(2)7-9(3,4)11-6-5-10/h5H,1,6-7H2,2-4H3
InChIKeyAKYFLHCCEZITID-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.95
Rot. Bonds5

About 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde

2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde (PubChem CID 14982332) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde.

Molecular Properties

Compound Name2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde
PubChem CID14982332
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde
SMILESC=C(C)CC(C)(C)OCC=O
InChIInChI=1S/C9H16O2/c1-8(2)7-9(3,4)11-6-5-10/h5H,1,6-7H2,2-4H3
InChIKeyAKYFLHCCEZITID-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Methoxy-3-methylbutoxy)-2,4-dimethylpent-1-en-3-one
CID 87693671
4-Ethoxy-2,4-dimethylpent-1-en-3-one
CID 116710261
2,4-Dimethyl-4-(2-methylpropoxy)pent-1-en-3-one
CID 123318177
2,4-Dimethyl-4-(3-oxopentan-2-yloxy)pent-1-en-3-one
CID 123981001
4-(3-Ethoxy-3-methylbutoxy)-2,4-dimethylpent-1-en-3-one
CID 134568533
2,4-Dimethyl-4-(3-methyl-3-propoxybutoxy)pent-1-en-3-one
CID 134593464
2-[(2S)-4-methylpent-4-en-2-yl]oxyacetaldehyde
CID 153447612
4-Butoxy-2,4-dimethylpent-1-en-3-one
CID 166874485
2,4-Dimethyl-4-(3-methylbutoxy)pent-1-en-3-one
CID 143128038

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde?
The IUPAC name of 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde (CID 14982332) is 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde.
What is the SMILES notation for 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde?
The canonical SMILES for 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde is C=C(C)CC(C)(C)OCC=O.
What is the InChIKey of 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde?
The InChIKey is AKYFLHCCEZITID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)7-9(3,4)11-6-5-10/h5H,1,6-7H2,2-4H3.
What are the key properties of 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde?
2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde has a molecular weight of 156.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpent-4-en-2-yloxy)acetaldehyde is sourced from PubChem (CID 14982332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).