2-pentan-2-yloxypropanal

C8H16O2 — CID 173375655

IUPAC2-pentan-2-yloxypropanal
SMILESCCCC(C)OC(C)C=O
InChIInChI=1S/C8H16O2/c1-4-5-7(2)10-8(3)6-9/h6-8H,4-5H2,1-3H3
InChIKeyUGLACBCNINJLMW-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.78
Rot. Bonds5

About 2-pentan-2-yloxypropanal

2-pentan-2-yloxypropanal (PubChem CID 173375655) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-pentan-2-yloxypropanal.

Molecular Properties

Compound Name2-pentan-2-yloxypropanal
PubChem CID173375655
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-pentan-2-yloxypropanal
SMILESCCCC(C)OC(C)C=O
InChIInChI=1S/C8H16O2/c1-4-5-7(2)10-8(3)6-9/h6-8H,4-5H2,1-3H3
InChIKeyUGLACBCNINJLMW-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yloxypropanal?
The IUPAC name of 2-pentan-2-yloxypropanal (CID 173375655) is 2-pentan-2-yloxypropanal.
What is the SMILES notation for 2-pentan-2-yloxypropanal?
The canonical SMILES for 2-pentan-2-yloxypropanal is CCCC(C)OC(C)C=O.
What is the InChIKey of 2-pentan-2-yloxypropanal?
The InChIKey is UGLACBCNINJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-7(2)10-8(3)6-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-pentan-2-yloxypropanal?
2-pentan-2-yloxypropanal has a molecular weight of 144.21 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yloxypropanal is sourced from PubChem (CID 173375655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).