(4R)-2,4-dimethylheptan-3-one

C9H18O — CID 6999069

IUPAC(4R)-2,4-dimethylheptan-3-one
SMILESCCC[C@@H](C)C(=O)C(C)C
InChIInChI=1S/C9H18O/c1-5-6-8(4)9(10)7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyMMEXTUAHJZOQKN-MRVPVSSYSA-N
MW142.24 g/mol
LogP2.65
Rot. Bonds4

About (4R)-2,4-dimethylheptan-3-one

(4R)-2,4-dimethylheptan-3-one (PubChem CID 6999069) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (4R)-2,4-dimethylheptan-3-one.

Molecular Properties

Compound Name(4R)-2,4-dimethylheptan-3-one
PubChem CID6999069
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(4R)-2,4-dimethylheptan-3-one
SMILESCCC[C@@H](C)C(=O)C(C)C
InChIInChI=1S/C9H18O/c1-5-6-8(4)9(10)7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKeyMMEXTUAHJZOQKN-MRVPVSSYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-4,6-dimethylnonan-5-one
CID 177467625
2,4-dimethyldecan-3-one
CID 79298815
2,4-dimethyl-1-(methylamino)heptan-3-one
CID 107890170
1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)heptan-3-one
CID 107891338
CID 159174397
CID 159174397
(4R)-4-methylheptan-3-one
CID 12696684
(2R)-2-methylpentanoyl chloride
CID 7160703
(4S)-2-methyl-4-methylsulfanylheptan-3-one
CID 142011947
4-(2-fluoroethyl)-2-methylheptan-3-one
CID 166106889
(3S)-3-methyl-2-oxohexanamide
CID 145466724
magnesium bis(2-methylpentanoate)
CID 140813982
lithium 2-methylpentanoate
CID 122554466

Frequently Asked Questions

What is the IUPAC name of (4R)-2,4-dimethylheptan-3-one?
The IUPAC name of (4R)-2,4-dimethylheptan-3-one (CID 6999069) is (4R)-2,4-dimethylheptan-3-one.
What is the SMILES notation for (4R)-2,4-dimethylheptan-3-one?
The canonical SMILES for (4R)-2,4-dimethylheptan-3-one is CCC[C@@H](C)C(=O)C(C)C.
What is the InChIKey of (4R)-2,4-dimethylheptan-3-one?
The InChIKey is MMEXTUAHJZOQKN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18O/c1-5-6-8(4)9(10)7(2)3/h7-8H,5-6H2,1-4H3/t8-/m1/s1.
What are the key properties of (4R)-2,4-dimethylheptan-3-one?
(4R)-2,4-dimethylheptan-3-one has a molecular weight of 142.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,4-dimethylheptan-3-one is sourced from PubChem (CID 6999069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).