(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one

C19H30O2 — CID 162136934

IUPAC(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one
SMILESCC(=O)C(C)C.CC(C)C(=O)C[C@H](C)Cc1ccccc1
InChIInChI=1S/C14H20O.C5H10O/c1-11(2)14(15)10-12(3)9-13-7-5-4-6-8-13;1-4(2)5(3)6/h4-8,11-12H,9-10H2,1-3H3;4H,1-3H3/t12-;/m1./s1
InChIKeyZJKLULOUEKJTTA-UTONKHPSSA-N
MW290.45 g/mol
LogP4.71
Rot. Bonds6

About (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one

(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one (PubChem CID 162136934) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one.

Molecular Properties

Compound Name(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one
PubChem CID162136934
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one
SMILESCC(=O)C(C)C.CC(C)C(=O)C[C@H](C)Cc1ccccc1
InChIInChI=1S/C14H20O.C5H10O/c1-11(2)14(15)10-12(3)9-13-7-5-4-6-8-13;1-4(2)5(3)6/h4-8,11-12H,9-10H2,1-3H3;4H,1-3H3/t12-;/m1./s1
InChIKeyZJKLULOUEKJTTA-UTONKHPSSA-N
XLogP4.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]boronic acid
CID 160779588
(2S)-2,7-diamino-4-methyl-6-oxo-8-phenyloctanoic acid
CID 67828765
2,4,5-trimethylhex-4-enylbenzene
CID 20701242
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406
(2S)-2,5-dimethyl-1-phenyldecan-4-one
CID 58389351
methyl 2-benzyl-5-methyl-4-oxohexanoate
CID 58307925
methyl N-[(2R)-5-methyl-4-oxo-1-phenylhexan-2-yl]carbamate
CID 59470684
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
3-benzylhexane-2,5-dione
CID 58379257
(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
4-methyl-5-(4-phenoxyphenyl)pentan-2-one
CID 83938966
2-methyl-3-phenylpropane-1-thiol
CID 19981761

Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one?
The IUPAC name of (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one (CID 162136934) is (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one.
What is the SMILES notation for (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one?
The canonical SMILES for (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one is CC(=O)C(C)C.CC(C)C(=O)C[C@H](C)Cc1ccccc1.
What is the InChIKey of (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one?
The InChIKey is ZJKLULOUEKJTTA-UTONKHPSSA-N. The full InChI is InChI=1S/C14H20O.C5H10O/c1-11(2)14(15)10-12(3)9-13-7-5-4-6-8-13;1-4(2)5(3)6/h4-8,11-12H,9-10H2,1-3H3;4H,1-3H3/t12-;/m1./s1.
What are the key properties of (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one?
(5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one has a molecular weight of 290.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-dimethyl-6-phenylhexan-3-one;3-methylbutan-2-one is sourced from PubChem (CID 162136934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).