[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

C23H32O2 — CID 11824011

IUPAC[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=O)C[C@H]2C=CCC2)C1
InChIInChI=1S/C23H32O2/c1-17-13-14-20(23(2,3)19-11-5-4-6-12-19)21(15-17)25-22(24)16-18-9-7-8-10-18/h4-7,9,11-12,17-18,20-21H,8,10,13-16H2,1-3H3/t17-,18+,20-,21-/m1/s1
InChIKeyYWQPMNYHNWOWPM-KOUHRCEDSA-N
MW340.51 g/mol
LogP5.67
Rot. Bonds5

About [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate

[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (PubChem CID 11824011) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
PubChem CID11824011
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=O)C[C@H]2C=CCC2)C1
InChIInChI=1S/C23H32O2/c1-17-13-14-20(23(2,3)19-11-5-4-6-12-19)21(15-17)25-22(24)16-18-9-7-8-10-18/h4-7,9,11-12,17-18,20-21H,8,10,13-16H2,1-3H3/t17-,18+,20-,21-/m1/s1
InChIKeyYWQPMNYHNWOWPM-KOUHRCEDSA-N
XLogP5.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(1S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] propanoate
CID 57243297
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-bromoacetate
CID 11121741
[(5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2,2-dimethylpropanoate
CID 173009492
[(2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-dimethoxyphosphorylacetate
CID 135049705
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (3R)-3-phenylbutanoate
CID 134901938
[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxopropanoate
CID 13141742
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-methyl-2-phenylpropanoate
CID 10385014
[(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloro-2-oxoacetate
CID 101408696
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxobutanoate
CID 11088396
[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] oxirane-2-carboxylate
CID 14288033
[(1S,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2E)-2-hydroxyiminoacetate
CID 177398917
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloro-3-oxobutanoate
CID 10736626

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate (CID 11824011) is [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](OC(=O)C[C@H]2C=CCC2)C1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
The InChIKey is YWQPMNYHNWOWPM-KOUHRCEDSA-N. The full InChI is InChI=1S/C23H32O2/c1-17-13-14-20(23(2,3)19-11-5-4-6-12-19)21(15-17)25-22(24)16-18-9-7-8-10-18/h4-7,9,11-12,17-18,20-21H,8,10,13-16H2,1-3H3/t17-,18+,20-,21-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate?
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate has a molecular weight of 340.51 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 11824011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).