6-ethoxy-3-ethyl-5-hydroxyhexan-2-one

C10H20O3 — CID 79428529

IUPAC6-ethoxy-3-ethyl-5-hydroxyhexan-2-one
SMILESCCOCC(O)CC(CC)C(C)=O
InChIInChI=1S/C10H20O3/c1-4-9(8(3)11)6-10(12)7-13-5-2/h9-10,12H,4-7H2,1-3H3
InChIKeyPRQHQQKZTHXIHC-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.39
Rot. Bonds7

About 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one

6-ethoxy-3-ethyl-5-hydroxyhexan-2-one (PubChem CID 79428529) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one.

Molecular Properties

Compound Name6-ethoxy-3-ethyl-5-hydroxyhexan-2-one
PubChem CID79428529
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name6-ethoxy-3-ethyl-5-hydroxyhexan-2-one
SMILESCCOCC(O)CC(CC)C(C)=O
InChIInChI=1S/C10H20O3/c1-4-9(8(3)11)6-10(12)7-13-5-2/h9-10,12H,4-7H2,1-3H3
InChIKeyPRQHQQKZTHXIHC-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one?
The IUPAC name of 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one (CID 79428529) is 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one.
What is the SMILES notation for 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one?
The canonical SMILES for 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one is CCOCC(O)CC(CC)C(C)=O.
What is the InChIKey of 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one?
The InChIKey is PRQHQQKZTHXIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-9(8(3)11)6-10(12)7-13-5-2/h9-10,12H,4-7H2,1-3H3.
What are the key properties of 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one?
6-ethoxy-3-ethyl-5-hydroxyhexan-2-one has a molecular weight of 188.27 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-ethyl-5-hydroxyhexan-2-one is sourced from PubChem (CID 79428529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).