[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate

C24H32O3 — CID 102076287

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate
SMILESCOC(C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C24H32O3/c1-16(2)21-13-10-17(3)14-22(21)27-23(25)24(4,26-5)20-12-11-18-8-6-7-9-19(18)15-20/h6-9,11-12,15-17,21-22H,10,13-14H2,1-5H3/t17-,21+,22-,24?/m1/s1
InChIKeySQJCUVHQVFSMNQ-DIYAQFNVSA-N
MW368.52 g/mol
LogP5.71
Rot. Bonds5

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate (PubChem CID 102076287) has the molecular formula C24H32O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate
PubChem CID102076287
Molecular FormulaC24H32O3
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate
SMILESCOC(C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccc2ccccc2c1
InChIInChI=1S/C24H32O3/c1-16(2)21-13-10-17(3)14-22(21)27-23(25)24(4,26-5)20-12-11-18-8-6-7-9-19(18)15-20/h6-9,11-12,15-17,21-22H,10,13-14H2,1-5H3/t17-,21+,22-,24?/m1/s1
InChIKeySQJCUVHQVFSMNQ-DIYAQFNVSA-N
XLogP5.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate with MolForge

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-(4-methoxyphenyl)propanoate
CID 102076289
(5-methyl-2-propan-2-ylcyclohexyl) 2-hydroxy-2-(6-methoxynaphthalen-2-yl)propanoate
CID 84820404
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten
CID 11135871
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] naphthalene-2,3-dicarboxylate
CID 10390964
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-bromo-2-methylpropanoate
CID 172643840
[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl] 3-hydroxy-3-phenylbutanoate
CID 149190489
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dimethylpropanoate
CID 12738090
methyl 3-[3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylnaphthalen-2-yl]naphthalene-2-carboxylate
CID 58719298
(5-methyl-2-propan-2-ylcyclohexyl) 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxy-2-phenylacetate
CID 174530617
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-difluoro-3-oxo-3-phenylpropanoate
CID 162536847
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 62822105
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate (CID 102076287) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate is COC(C)(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)c1ccc2ccccc2c1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate?
The InChIKey is SQJCUVHQVFSMNQ-DIYAQFNVSA-N. The full InChI is InChI=1S/C24H32O3/c1-16(2)21-13-10-17(3)14-22(21)27-23(25)24(4,26-5)20-12-11-18-8-6-7-9-19(18)15-20/h6-9,11-12,15-17,21-22H,10,13-14H2,1-5H3/t17-,21+,22-,24?/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate has a molecular weight of 368.52 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-methoxy-2-naphthalen-2-ylpropanoate is sourced from PubChem (CID 102076287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).