(4R)-2-methyl-4-(2-methylpropyl)decan-3-one

C15H30O — CID 158016605

IUPAC(4R)-2-methyl-4-(2-methylpropyl)decan-3-one
SMILESCCCCCC[C@H](CC(C)C)C(=O)C(C)C
InChIInChI=1S/C15H30O/c1-6-7-8-9-10-14(11-12(2)3)15(16)13(4)5/h12-14H,6-11H2,1-5H3/t14-/m1/s1
InChIKeyLEYXQFRGAJYYKJ-CQSZACIVSA-N
MW226.40 g/mol
LogP4.84
Rot. Bonds9

About (4R)-2-methyl-4-(2-methylpropyl)decan-3-one

(4R)-2-methyl-4-(2-methylpropyl)decan-3-one (PubChem CID 158016605) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (4R)-2-methyl-4-(2-methylpropyl)decan-3-one.

Molecular Properties

Compound Name(4R)-2-methyl-4-(2-methylpropyl)decan-3-one
PubChem CID158016605
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(4R)-2-methyl-4-(2-methylpropyl)decan-3-one
SMILESCCCCCC[C@H](CC(C)C)C(=O)C(C)C
InChIInChI=1S/C15H30O/c1-6-7-8-9-10-14(11-12(2)3)15(16)13(4)5/h12-14H,6-11H2,1-5H3/t14-/m1/s1
InChIKeyLEYXQFRGAJYYKJ-CQSZACIVSA-N
XLogP4.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.84
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

4-butyl-2-methyldecan-3-one
CID 130218662
(4R)-2,13-dimethyl-4-(2-methylpropyl)tetradecane-3,10-dione
CID 157106959
11,13-diheptyltricosan-12-one
CID 175328104
22,24-di(henicosyl)pentatetracontan-23-one
CID 174350862
9,11-dipentylnonadecan-10-one
CID 174915946
4-butyl-2-methyloctan-3-one
CID 171426152
2,4-dimethyldecan-3-one
CID 79298815
(2R)-2-(2-methylpropyl)-8-oxotricosanamide
CID 167580908
2-nonyl-4-tridecylpentanedioic acid
CID 87929882
(4S)-4-ethyl-2,9-dimethyldecan-3-one
CID 164954852
3-pentylnonan-2-one
CID 21290467
2-heptadecylicosanoic acid
CID 57459073

Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-(2-methylpropyl)decan-3-one?
The IUPAC name of (4R)-2-methyl-4-(2-methylpropyl)decan-3-one (CID 158016605) is (4R)-2-methyl-4-(2-methylpropyl)decan-3-one.
What is the SMILES notation for (4R)-2-methyl-4-(2-methylpropyl)decan-3-one?
The canonical SMILES for (4R)-2-methyl-4-(2-methylpropyl)decan-3-one is CCCCCC[C@H](CC(C)C)C(=O)C(C)C.
What is the InChIKey of (4R)-2-methyl-4-(2-methylpropyl)decan-3-one?
The InChIKey is LEYXQFRGAJYYKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30O/c1-6-7-8-9-10-14(11-12(2)3)15(16)13(4)5/h12-14H,6-11H2,1-5H3/t14-/m1/s1.
What are the key properties of (4R)-2-methyl-4-(2-methylpropyl)decan-3-one?
(4R)-2-methyl-4-(2-methylpropyl)decan-3-one has a molecular weight of 226.40 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methyl-4-(2-methylpropyl)decan-3-one is sourced from PubChem (CID 158016605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).