(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one

C16H24O — CID 67129592

IUPAC(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one
SMILESCCC(=O)C(CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24O/c1-5-15(17)14(16(2,3)4)12-11-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3
InChIKeyAVZQHEXREYSBHH-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.26
Rot. Bonds5

About (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one

(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one (PubChem CID 67129592) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one.

Molecular Properties

Compound Name(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one
PubChem CID67129592
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one
SMILESCCC(=O)C(CCc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24O/c1-5-15(17)14(16(2,3)4)12-11-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3
InChIKeyAVZQHEXREYSBHH-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S,5R)-5-hydroxy-4-methyl-7-phenylheptan-3-one
CID 11042266
(2R)-2-tert-butyl-3-(2-phenylethyl)butanedioic acid
CID 70166534
2,2,3-trimethyl-5-phenylpentanoic acid
CID 66734335
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
3-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(2-phenylethyl)butanoic acid
CID 155669884
(4-oxo-1-phenylhexan-3-yl) acetate
CID 71337403
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
2-methyl-4-phenylbutanoic acid
CID 66896591
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
2-[ethyl(4-phenylbutan-2-yl)amino]-2-methylpropanoic acid
CID 65061373
4-hydroxy-4-methyl-6-phenylhexan-3-one
CID 145233910

Frequently Asked Questions

What is the IUPAC name of (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one?
The IUPAC name of (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one (CID 67129592) is (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one.
What is the SMILES notation for (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one?
The canonical SMILES for (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one is CCC(=O)C(CCc1ccccc1)C(C)(C)C.
What is the InChIKey of (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one?
The InChIKey is AVZQHEXREYSBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-5-15(17)14(16(2,3)4)12-11-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3.
What are the key properties of (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one?
(4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one has a molecular weight of 232.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5-dimethyl-4-(2-phenylethyl)hexan-3-one is sourced from PubChem (CID 67129592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).