1-ethoxy-5-methoxy-5-methylhexan-2-one

C10H20O3 — CID 103024514

IUPAC1-ethoxy-5-methoxy-5-methylhexan-2-one
SMILESCCOCC(=O)CCC(C)(C)OC
InChIInChI=1S/C10H20O3/c1-5-13-8-9(11)6-7-10(2,3)12-4/h5-8H2,1-4H3
InChIKeyUPIFTOALLLJZOI-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.80
Rot. Bonds7

About 1-ethoxy-5-methoxy-5-methylhexan-2-one

1-ethoxy-5-methoxy-5-methylhexan-2-one (PubChem CID 103024514) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-ethoxy-5-methoxy-5-methylhexan-2-one.

Molecular Properties

Compound Name1-ethoxy-5-methoxy-5-methylhexan-2-one
PubChem CID103024514
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-ethoxy-5-methoxy-5-methylhexan-2-one
SMILESCCOCC(=O)CCC(C)(C)OC
InChIInChI=1S/C10H20O3/c1-5-13-8-9(11)6-7-10(2,3)12-4/h5-8H2,1-4H3
InChIKeyUPIFTOALLLJZOI-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-5-methoxy-5-methylhexan-2-one?
The IUPAC name of 1-ethoxy-5-methoxy-5-methylhexan-2-one (CID 103024514) is 1-ethoxy-5-methoxy-5-methylhexan-2-one.
What is the SMILES notation for 1-ethoxy-5-methoxy-5-methylhexan-2-one?
The canonical SMILES for 1-ethoxy-5-methoxy-5-methylhexan-2-one is CCOCC(=O)CCC(C)(C)OC.
What is the InChIKey of 1-ethoxy-5-methoxy-5-methylhexan-2-one?
The InChIKey is UPIFTOALLLJZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-13-8-9(11)6-7-10(2,3)12-4/h5-8H2,1-4H3.
What are the key properties of 1-ethoxy-5-methoxy-5-methylhexan-2-one?
1-ethoxy-5-methoxy-5-methylhexan-2-one has a molecular weight of 188.27 g/mol, XLogP of 1.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-5-methoxy-5-methylhexan-2-one is sourced from PubChem (CID 103024514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).