3-ethyl-3-hydroxydecan-4-one

C12H24O2 — CID 103446891

IUPAC3-ethyl-3-hydroxydecan-4-one
SMILESCCCCCCC(=O)C(O)(CC)CC
InChIInChI=1S/C12H24O2/c1-4-7-8-9-10-11(13)12(14,5-2)6-3/h14H,4-10H2,1-3H3
InChIKeyZTQKDKZWTTWYON-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.08
Rot. Bonds8

About 3-ethyl-3-hydroxydecan-4-one

3-ethyl-3-hydroxydecan-4-one (PubChem CID 103446891) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-ethyl-3-hydroxydecan-4-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxydecan-4-one
PubChem CID103446891
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-ethyl-3-hydroxydecan-4-one
SMILESCCCCCCC(=O)C(O)(CC)CC
InChIInChI=1S/C12H24O2/c1-4-7-8-9-10-11(13)12(14,5-2)6-3/h14H,4-10H2,1-3H3
InChIKeyZTQKDKZWTTWYON-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-dihydroxy-2-(hydroxymethyl)hexacosan-3-one
CID 139653095
(4S)-4-ethyl-4-hydroxyundecane-3,5-dione
CID 97050396
15-hydroxy-15-(hydroxymethyl)nonacosane-14,16-dione
CID 87574450
(2R,3R)-2,3-di(decanoyl)-2,3-dihydroxybutanedioic acid
CID 139659020
2-ethyl-2-hydroxyoctadecanoic acid
CID 23182335
3-ethyl-3-hydroxy-4-methylideneundecan-5-one
CID 71324867
11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
3-amino-3-methylhexadecan-4-one
CID 116590430
5-ethyl-5-hydroxy-1-methoxyheptan-4-one
CID 103446928
[2-(carboxymethyl)-2-hydroxy-3-oxoheptadecyl]-trimethylazanium
CID 153367392
[2-(carboxymethyl)-2-hydroxy-3-oxohenicosyl]-trimethylazanium
CID 155797564
2-fluoro-2-methyldecan-3-one
CID 14645302

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxydecan-4-one?
The IUPAC name of 3-ethyl-3-hydroxydecan-4-one (CID 103446891) is 3-ethyl-3-hydroxydecan-4-one.
What is the SMILES notation for 3-ethyl-3-hydroxydecan-4-one?
The canonical SMILES for 3-ethyl-3-hydroxydecan-4-one is CCCCCCC(=O)C(O)(CC)CC.
What is the InChIKey of 3-ethyl-3-hydroxydecan-4-one?
The InChIKey is ZTQKDKZWTTWYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-7-8-9-10-11(13)12(14,5-2)6-3/h14H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-3-hydroxydecan-4-one?
3-ethyl-3-hydroxydecan-4-one has a molecular weight of 200.32 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxydecan-4-one is sourced from PubChem (CID 103446891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).