4-ethyl-2-hydroxyhexan-3-one

C8H16O2 — CID 45085740

IUPAC4-ethyl-2-hydroxyhexan-3-one
SMILESCCC(CC)C(=O)C(C)O
InChIInChI=1S/C8H16O2/c1-4-7(5-2)8(10)6(3)9/h6-7,9H,4-5H2,1-3H3
InChIKeyFOQJCVDPTFMBCJ-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.37
Rot. Bonds4

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

4-ethyl-2-hydroxyhexan-3-one (PubChem CID 45085740) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-ethyl-2-hydroxyhexan-3-one.

Molecular Properties

Compound Name4-ethyl-2-hydroxyhexan-3-one
PubChem CID45085740
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-ethyl-2-hydroxyhexan-3-one
SMILESCCC(CC)C(=O)C(C)O
InChIInChI=1S/C8H16O2/c1-4-7(5-2)8(10)6(3)9/h6-7,9H,4-5H2,1-3H3
InChIKeyFOQJCVDPTFMBCJ-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hydroxy-4-methyl-2-pentanone
CID 13294594
3-Hydroxy-5-methyl-hexan-2-one
CID 11815386
2-Hydroxy-5-methyl-hexan-3-one
CID 10920542
2-Hydroxy-5-methylheptan-4-one
CID 89306439
Sitophilure
CID 155663
4-Hydroxy-2,2,5,5-tetramethylhexan-3-one
CID 219593
4-Hydroxy-2,5-dimethylhexan-3-one
CID 229406
4-Hydroxy-3-propyl-2-hexanone
CID 537388
4-Octanone, 5-hydroxy-2,7-dimethyl-
CID 549815
(4r,5s)-5-Hydroxy-4-methyl-3-heptanone
CID 10986363
(4r,5r)-5-Hydroxy-4-methyl-3-heptanone
CID 11693926
(4S,5S)-5-hydroxy-4-methyl-3-heptanone
CID 12185143

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxyhexan-3-one?
The IUPAC name of 4-ethyl-2-hydroxyhexan-3-one (CID 45085740) is 4-ethyl-2-hydroxyhexan-3-one.
What is the SMILES notation for 4-ethyl-2-hydroxyhexan-3-one?
The canonical SMILES for 4-ethyl-2-hydroxyhexan-3-one is CCC(CC)C(=O)C(C)O.
What is the InChIKey of 4-ethyl-2-hydroxyhexan-3-one?
The InChIKey is FOQJCVDPTFMBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-7(5-2)8(10)6(3)9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-2-hydroxyhexan-3-one?
4-ethyl-2-hydroxyhexan-3-one has a molecular weight of 144.21 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxyhexan-3-one is sourced from PubChem (CID 45085740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).