1-ethoxy-4-ethyl-3-hydroxyhexan-2-one

C10H20O3 — CID 103458441

IUPAC1-ethoxy-4-ethyl-3-hydroxyhexan-2-one
SMILESCCOCC(=O)C(O)C(CC)CC
InChIInChI=1S/C10H20O3/c1-4-8(5-2)10(12)9(11)7-13-6-3/h8,10,12H,4-7H2,1-3H3
InChIKeyCCVOMAVQQOHERZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.39
Rot. Bonds7

About 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one

1-ethoxy-4-ethyl-3-hydroxyhexan-2-one (PubChem CID 103458441) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one.

Molecular Properties

Compound Name1-ethoxy-4-ethyl-3-hydroxyhexan-2-one
PubChem CID103458441
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-ethoxy-4-ethyl-3-hydroxyhexan-2-one
SMILESCCOCC(=O)C(O)C(CC)CC
InChIInChI=1S/C10H20O3/c1-4-8(5-2)10(12)9(11)7-13-6-3/h8,10,12H,4-7H2,1-3H3
InChIKeyCCVOMAVQQOHERZ-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

Analyze 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-1,3-dihydroxyhexan-2-one
CID 174421327
cadmium(2+);bis(2-ethoxyacetate)
CID 87930337
3-hydroxy-4-methyl-1-propoxypentan-2-one
CID 103455114
2-ethoxyacetic acid
CID 159744705
3-cyclopropyl-1-ethoxybutan-2-one
CID 115783017
2-ethoxy-N-(4-hydroxybutan-2-yl)acetamide
CID 81050051
carbonic acid;2-ethoxyacetic acid
CID 174869478
dioxouranium(2+);bis(2-ethoxyacetate)
CID 19374008
(2S)-3-[(2-ethoxyacetyl)amino]-2-hydroxypropanoic acid
CID 107833755
1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one
CID 116709178
3-ethyl-4-hydroxydec-9-en-5-one
CID 103458359
3-amino-1-ethoxyhex-5-en-2-one
CID 116606832

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one?
The IUPAC name of 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one (CID 103458441) is 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one.
What is the SMILES notation for 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one?
The canonical SMILES for 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one is CCOCC(=O)C(O)C(CC)CC.
What is the InChIKey of 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one?
The InChIKey is CCVOMAVQQOHERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-8(5-2)10(12)9(11)7-13-6-3/h8,10,12H,4-7H2,1-3H3.
What are the key properties of 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one?
1-ethoxy-4-ethyl-3-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 1-ethoxy-4-ethyl-3-hydroxyhexan-2-one is sourced from PubChem (CID 103458441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).