2-ethoxy-1-(oxan-4-yl)propan-1-one

C10H18O3 — CID 64539233

IUPAC2-ethoxy-1-(oxan-4-yl)propan-1-one
SMILESCCOC(C)C(=O)C1CCOCC1
InChIInChI=1S/C10H18O3/c1-3-13-8(2)10(11)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyJWOIPBXWMFVKPU-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.41
Rot. Bonds4

About 2-ethoxy-1-(oxan-4-yl)propan-1-one

2-ethoxy-1-(oxan-4-yl)propan-1-one (PubChem CID 64539233) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-ethoxy-1-(oxan-4-yl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(oxan-4-yl)propan-1-one
PubChem CID64539233
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-ethoxy-1-(oxan-4-yl)propan-1-one
SMILESCCOC(C)C(=O)C1CCOCC1
InChIInChI=1S/C10H18O3/c1-3-13-8(2)10(11)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3
InChIKeyJWOIPBXWMFVKPU-UHFFFAOYSA-N
XLogP1.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(oxan-4-yl)propan-1-one?
The IUPAC name of 2-ethoxy-1-(oxan-4-yl)propan-1-one (CID 64539233) is 2-ethoxy-1-(oxan-4-yl)propan-1-one.
What is the SMILES notation for 2-ethoxy-1-(oxan-4-yl)propan-1-one?
The canonical SMILES for 2-ethoxy-1-(oxan-4-yl)propan-1-one is CCOC(C)C(=O)C1CCOCC1.
What is the InChIKey of 2-ethoxy-1-(oxan-4-yl)propan-1-one?
The InChIKey is JWOIPBXWMFVKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-13-8(2)10(11)9-4-6-12-7-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-ethoxy-1-(oxan-4-yl)propan-1-one?
2-ethoxy-1-(oxan-4-yl)propan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(oxan-4-yl)propan-1-one is sourced from PubChem (CID 64539233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).