(6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one

C15H24O2 — CID 57327792

IUPAC(6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
SMILESCC1(C)CCC[C@]1(C)C1=CC(=O)[C@@](C)(O)CC1
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h10,17H,5-9H2,1-4H3/t14-,15+/m1/s1
InChIKeyXRBCPARPBGDOTM-CABCVRRESA-N
MW236.35 g/mol
LogP3.24
Rot. Bonds1

About (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one

(6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one (PubChem CID 57327792) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
PubChem CID57327792
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one
SMILESCC1(C)CCC[C@]1(C)C1=CC(=O)[C@@](C)(O)CC1
InChIInChI=1S/C15H24O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h10,17H,5-9H2,1-4H3/t14-,15+/m1/s1
InChIKeyXRBCPARPBGDOTM-CABCVRRESA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one?
The IUPAC name of (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one (CID 57327792) is (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one.
What is the SMILES notation for (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one?
The canonical SMILES for (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one is CC1(C)CCC[C@]1(C)C1=CC(=O)[C@@](C)(O)CC1.
What is the InChIKey of (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one?
The InChIKey is XRBCPARPBGDOTM-CABCVRRESA-N. The full InChI is InChI=1S/C15H24O2/c1-13(2)7-5-8-14(13,3)11-6-9-15(4,17)12(16)10-11/h10,17H,5-9H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one?
(6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one has a molecular weight of 236.35 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hydroxy-6-methyl-3-[(1S)-1,2,2-trimethylcyclopentyl]cyclohex-2-en-1-one is sourced from PubChem (CID 57327792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).