(4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one

C15H24O2 — CID 15867192

IUPAC(4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
SMILESCC1=C[C@H](O)[C@@H]([C@]2(C)CCCC2(C)C)CC1=O
InChIInChI=1S/C15H24O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8,11,13,17H,5-7,9H2,1-4H3/t11-,13-,15-/m0/s1
InChIKeyIUKKWXIPRURLDK-WHOFXGATSA-N
MW236.35 g/mol
LogP3.10
Rot. Bonds1

About (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one

(4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one (PubChem CID 15867192) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
PubChem CID15867192
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
SMILESCC1=C[C@H](O)[C@@H]([C@]2(C)CCCC2(C)C)CC1=O
InChIInChI=1S/C15H24O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8,11,13,17H,5-7,9H2,1-4H3/t11-,13-,15-/m0/s1
InChIKeyIUKKWXIPRURLDK-WHOFXGATSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one with MolForge

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Related Compounds

9-Epiblumenol B
CID 14135401
trans-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429209
15-Hydroxysolavetivone
CID 25200393
(6a)-21,21-O-dihydroophiobolin G
CID 46705455
(4S)-4-((1R,2S)-2-Hydroxy-1,4-dimethyl-3-cyclohexen-1-yl)-3-(hydroxymethyl)-4-methyl-2-cyclopenten-1-one
CID 21634730
12-Hydroxy-chiloscyphone
CID 10243131
Desoxo-Narchinol A
CID 56835056
Npc111520
CID 14135402
4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-2-en-1-one
CID 118284
cis-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429208
5-Hydroxy-p-menth-6-en-2-one
CID 14106048
Oxysolavetivone
CID 74427721

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one?
The IUPAC name of (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one (CID 15867192) is (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one.
What is the SMILES notation for (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one?
The canonical SMILES for (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one is CC1=C[C@H](O)[C@@H]([C@]2(C)CCCC2(C)C)CC1=O.
What is the InChIKey of (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one?
The InChIKey is IUKKWXIPRURLDK-WHOFXGATSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-8-13(17)11(9-12(10)16)15(4)7-5-6-14(15,2)3/h8,11,13,17H,5-7,9H2,1-4H3/t11-,13-,15-/m0/s1.
What are the key properties of (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one?
(4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-hydroxy-2-methyl-5-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one is sourced from PubChem (CID 15867192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).