(5R)-5-ethyl-2,2-dimethyldecan-3-one

C14H28O — CID 101155077

IUPAC(5R)-5-ethyl-2,2-dimethyldecan-3-one
SMILESCCCCC[C@@H](CC)CC(=O)C(C)(C)C
InChIInChI=1S/C14H28O/c1-6-8-9-10-12(7-2)11-13(15)14(3,4)5/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyLBFAEBYTDMDZGE-GFCCVEGCSA-N
MW212.38 g/mol
LogP4.60
Rot. Bonds7

About (5R)-5-ethyl-2,2-dimethyldecan-3-one

(5R)-5-ethyl-2,2-dimethyldecan-3-one (PubChem CID 101155077) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (5R)-5-ethyl-2,2-dimethyldecan-3-one.

Molecular Properties

Compound Name(5R)-5-ethyl-2,2-dimethyldecan-3-one
PubChem CID101155077
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(5R)-5-ethyl-2,2-dimethyldecan-3-one
SMILESCCCCC[C@@H](CC)CC(=O)C(C)(C)C
InChIInChI=1S/C14H28O/c1-6-8-9-10-12(7-2)11-13(15)14(3,4)5/h12H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyLBFAEBYTDMDZGE-GFCCVEGCSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-hydroxy-2-methylnonan-3-one
CID 103446069
5-fluoro-2,2-dimethyldecan-3-one
CID 22934364
5-hydroxy-2,2-dimethyltetradecan-3-one
CID 24806529
2,2,5-trimethylundecan-3-one
CID 177435027
bis(3-ethyloctanoic acid);nickel
CID 176656697
3-ethyloctanoic acid;neodymium
CID 174650378
3-ethylhexadecanoic acid
CID 14298660
5-ethyl-2-methyl-2-methylsulfonylnonan-3-one
CID 114963651
6-ethyl-2,2-dimethyldecan-4-one
CID 63890637
methyl 3-ethyldecanoate
CID 154021576
tert-butyl 3-ethylheptanoate
CID 545580
12-ethyltetradecane-6,7-dione
CID 87921559

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-2,2-dimethyldecan-3-one?
The IUPAC name of (5R)-5-ethyl-2,2-dimethyldecan-3-one (CID 101155077) is (5R)-5-ethyl-2,2-dimethyldecan-3-one.
What is the SMILES notation for (5R)-5-ethyl-2,2-dimethyldecan-3-one?
The canonical SMILES for (5R)-5-ethyl-2,2-dimethyldecan-3-one is CCCCC[C@@H](CC)CC(=O)C(C)(C)C.
What is the InChIKey of (5R)-5-ethyl-2,2-dimethyldecan-3-one?
The InChIKey is LBFAEBYTDMDZGE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H28O/c1-6-8-9-10-12(7-2)11-13(15)14(3,4)5/h12H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of (5R)-5-ethyl-2,2-dimethyldecan-3-one?
(5R)-5-ethyl-2,2-dimethyldecan-3-one has a molecular weight of 212.38 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-2,2-dimethyldecan-3-one is sourced from PubChem (CID 101155077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).