(3R)-3-hexyl-4,4-diphenylcyclohexan-1-one

C24H30O — CID 57336731

IUPAC(3R)-3-hexyl-4,4-diphenylcyclohexan-1-one
SMILESCCCCCC[C@@H]1CC(=O)CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30O/c1-2-3-4-7-16-22-19-23(25)17-18-24(22,20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,22H,2-4,7,16-19H2,1H3/t22-/m1/s1
InChIKeyYYKXKOOWQZKCFW-JOCHJYFZSA-N
MW334.50 g/mol
LogP6.31
Rot. Bonds7

About (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one

(3R)-3-hexyl-4,4-diphenylcyclohexan-1-one (PubChem CID 57336731) has the molecular formula C24H30O and a molecular weight of 334.50 g/mol. Its IUPAC name is (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-hexyl-4,4-diphenylcyclohexan-1-one
PubChem CID57336731
Molecular FormulaC24H30O
Molecular Weight334.50 g/mol
Exact Mass334.23
IUPAC Name(3R)-3-hexyl-4,4-diphenylcyclohexan-1-one
SMILESCCCCCC[C@@H]1CC(=O)CCC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H30O/c1-2-3-4-7-16-22-19-23(25)17-18-24(22,20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,22H,2-4,7,16-19H2,1H3/t22-/m1/s1
InChIKeyYYKXKOOWQZKCFW-JOCHJYFZSA-N
XLogP6.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.31
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

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CID 66721936
4-ethyl-4-phenylcyclohexan-1-one
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CID 101085600
3-hexyl-1-phenylcyclobutan-1-ol
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CID 102121474
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(3S)-3-hexylcyclohexan-1-one
CID 15091678
3-octylcyclohexan-1-one
CID 11830718
2-heptyl-4-hydroxy-3-(2-phenylethyl)cyclopentan-1-one
CID 58180279
5-octyl-2,3,3-triphenyl-1,2-oxazolidine
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CID 23270939

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one?
The IUPAC name of (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one (CID 57336731) is (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one?
The canonical SMILES for (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one is CCCCCC[C@@H]1CC(=O)CCC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one?
The InChIKey is YYKXKOOWQZKCFW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30O/c1-2-3-4-7-16-22-19-23(25)17-18-24(22,20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,22H,2-4,7,16-19H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one?
(3R)-3-hexyl-4,4-diphenylcyclohexan-1-one has a molecular weight of 334.50 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hexyl-4,4-diphenylcyclohexan-1-one is sourced from PubChem (CID 57336731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).