4-ethoxy-3-methylpentan-2-one

C8H16O2 — CID 86089961

IUPAC4-ethoxy-3-methylpentan-2-one
SMILESCCOC(C)C(C)C(C)=O
InChIInChI=1S/C8H16O2/c1-5-10-8(4)6(2)7(3)9/h6,8H,5H2,1-4H3
InChIKeyPCTNIUAOGCKXEL-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.64
Rot. Bonds4

About 4-ethoxy-3-methylpentan-2-one

4-ethoxy-3-methylpentan-2-one (PubChem CID 86089961) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-ethoxy-3-methylpentan-2-one.

Molecular Properties

Compound Name4-ethoxy-3-methylpentan-2-one
PubChem CID86089961
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-ethoxy-3-methylpentan-2-one
SMILESCCOC(C)C(C)C(C)=O
InChIInChI=1S/C8H16O2/c1-5-10-8(4)6(2)7(3)9/h6,8H,5H2,1-4H3
InChIKeyPCTNIUAOGCKXEL-UHFFFAOYSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methylpentan-2-one?
The IUPAC name of 4-ethoxy-3-methylpentan-2-one (CID 86089961) is 4-ethoxy-3-methylpentan-2-one.
What is the SMILES notation for 4-ethoxy-3-methylpentan-2-one?
The canonical SMILES for 4-ethoxy-3-methylpentan-2-one is CCOC(C)C(C)C(C)=O.
What is the InChIKey of 4-ethoxy-3-methylpentan-2-one?
The InChIKey is PCTNIUAOGCKXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-10-8(4)6(2)7(3)9/h6,8H,5H2,1-4H3.
What are the key properties of 4-ethoxy-3-methylpentan-2-one?
4-ethoxy-3-methylpentan-2-one has a molecular weight of 144.21 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methylpentan-2-one is sourced from PubChem (CID 86089961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).