3,6-diethyl-3-hydroxyoctan-4-one

C12H24O2 — CID 103447175

IUPAC3,6-diethyl-3-hydroxyoctan-4-one
SMILESCCC(CC)CC(=O)C(O)(CC)CC
InChIInChI=1S/C12H24O2/c1-5-10(6-2)9-11(13)12(14,7-3)8-4/h10,14H,5-9H2,1-4H3
InChIKeyUCOVZDDLSSCVMA-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.93
Rot. Bonds7

About 3,6-diethyl-3-hydroxyoctan-4-one

3,6-diethyl-3-hydroxyoctan-4-one (PubChem CID 103447175) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3,6-diethyl-3-hydroxyoctan-4-one.

Molecular Properties

Compound Name3,6-diethyl-3-hydroxyoctan-4-one
PubChem CID103447175
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3,6-diethyl-3-hydroxyoctan-4-one
SMILESCCC(CC)CC(=O)C(O)(CC)CC
InChIInChI=1S/C12H24O2/c1-5-10(6-2)9-11(13)12(14,7-3)8-4/h10,14H,5-9H2,1-4H3
InChIKeyUCOVZDDLSSCVMA-UHFFFAOYSA-N
XLogP2.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-hydroxy-6-methylnonan-4-one
CID 103447100
6-ethyl-3-methoxy-3-methyloctan-4-one
CID 116746584
6-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-one
CID 82920402
5-ethyl-2-hydroxy-2-methylnonan-3-one
CID 103446069
3,5,5-triethylheptanoic acid
CID 545359
5-ethyl-1,1,1-trifluoro-5-hydroxyheptan-4-one
CID 103447033
3-ethyl-3-hydroxydecan-4-one
CID 103446891
3,5-diethylheptan-3-ol
CID 82929105
(5R)-5-ethyl-2,2-dimethyldecan-3-one
CID 101155077
3-hydroxy-3,6-dimethyloctan-4-one
CID 103446752
4-ethyl-1,1-dimethoxyhexan-2-one
CID 82920405
bis(2-ethyl-2-hydroxybutanoic acid);oxochromium
CID 10991103

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-3-hydroxyoctan-4-one?
The IUPAC name of 3,6-diethyl-3-hydroxyoctan-4-one (CID 103447175) is 3,6-diethyl-3-hydroxyoctan-4-one.
What is the SMILES notation for 3,6-diethyl-3-hydroxyoctan-4-one?
The canonical SMILES for 3,6-diethyl-3-hydroxyoctan-4-one is CCC(CC)CC(=O)C(O)(CC)CC.
What is the InChIKey of 3,6-diethyl-3-hydroxyoctan-4-one?
The InChIKey is UCOVZDDLSSCVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-10(6-2)9-11(13)12(14,7-3)8-4/h10,14H,5-9H2,1-4H3.
What are the key properties of 3,6-diethyl-3-hydroxyoctan-4-one?
3,6-diethyl-3-hydroxyoctan-4-one has a molecular weight of 200.32 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-3-hydroxyoctan-4-one is sourced from PubChem (CID 103447175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).