(4R)-4-cyclopropyl-2,5-dimethylhexan-3-one

C11H20O — CID 157057369

IUPAC(4R)-4-cyclopropyl-2,5-dimethylhexan-3-one
SMILESCC(C)C(=O)[C@H](C(C)C)C1CC1
InChIInChI=1S/C11H20O/c1-7(2)10(9-5-6-9)11(12)8(3)4/h7-10H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyRQLZLNUPFOTDJQ-SNVBAGLBSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds4

About (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one

(4R)-4-cyclopropyl-2,5-dimethylhexan-3-one (PubChem CID 157057369) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-2,5-dimethylhexan-3-one
PubChem CID157057369
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(4R)-4-cyclopropyl-2,5-dimethylhexan-3-one
SMILESCC(C)C(=O)[C@H](C(C)C)C1CC1
InChIInChI=1S/C11H20O/c1-7(2)10(9-5-6-9)11(12)8(3)4/h7-10H,5-6H2,1-4H3/t10-/m1/s1
InChIKeyRQLZLNUPFOTDJQ-SNVBAGLBSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-1-cyclopropyl-3-methylbutan-2-one
CID 76751982
3-(4-hydroxycyclohexyl)-4-methylpentan-2-one
CID 143544217
(2S)-2-cyclohexyl-3-methylbutanoic acid
CID 69470858
N-(1-cyclopropyl-3-methyl-2-oxobutyl)acetamide
CID 76825713
2-cyclohexyl-4-methylpentan-3-one
CID 14086898
(1S)-1-amino-1-cyclopentyl-3-methylbutan-2-one
CID 126487606
(1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one
CID 176614533
propan-2-yl 3-cyclopropyl-5-methyl-4-oxohexanoate
CID 157307312
1-cyclopropyl-2,4-dimethylpentane-1,3-dione
CID 64920290
1-cyclopentyl-3-methyl-1-(propan-2-ylamino)butan-2-one
CID 58862415
N-(1-cyclopropyl-3-methyl-2-oxobutyl)-2-hydroxy-N-methylacetamide
CID 70799970
4-chloro-2,5-dimethylhexan-3-one
CID 71435660

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one?
The IUPAC name of (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one (CID 157057369) is (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one.
What is the SMILES notation for (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one?
The canonical SMILES for (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one is CC(C)C(=O)[C@H](C(C)C)C1CC1.
What is the InChIKey of (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one?
The InChIKey is RQLZLNUPFOTDJQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O/c1-7(2)10(9-5-6-9)11(12)8(3)4/h7-10H,5-6H2,1-4H3/t10-/m1/s1.
What are the key properties of (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one?
(4R)-4-cyclopropyl-2,5-dimethylhexan-3-one has a molecular weight of 168.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-2,5-dimethylhexan-3-one is sourced from PubChem (CID 157057369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).