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

C24H34O2 — CID 10926305

IUPAC[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate
SMILESC=C1CCC[C@@H]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)c1ccccc1
InChIInChI=1S/C24H34O2/c1-17-13-14-21(24(3,4)20-11-6-5-7-12-20)22(15-17)26-23(25)16-19-10-8-9-18(19)2/h5-7,11-12,17,19,21-22H,2,8-10,13-16H2,1,3-4H3/t17-,19-,21-,22-/m1/s1
InChIKeyKDNNTQKKQJKZHD-JHMKDJTOSA-N
MW354.53 g/mol
LogP6.06
Rot. Bonds5

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

[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate (PubChem CID 10926305) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate
PubChem CID10926305
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate
SMILESC=C1CCC[C@@H]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)c1ccccc1
InChIInChI=1S/C24H34O2/c1-17-13-14-21(24(3,4)20-11-6-5-7-12-20)22(15-17)26-23(25)16-19-10-8-9-18(19)2/h5-7,11-12,17,19,21-22H,2,8-10,13-16H2,1,3-4H3/t17-,19-,21-,22-/m1/s1
InChIKeyKDNNTQKKQJKZHD-JHMKDJTOSA-N
XLogP6.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.06
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

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CID 3656473
(-)-Menthyl phenylacetate
CID 9993505
9,9-Fluorenedipropionic acid, diethyl ester
CID 33767
3-Phenyl-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44332279
1-Methylethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
CID 11139492
Ethyl 3-phenylheptanoate
CID 3311341
(+)-8-Phenylmenthyl chloroacetate
CID 4202315
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methylphenyl)propanoic acid
CID 3129813
[(1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-2,3,6,6a-tetrahydro-1H-pentalen-1-yl] acetate
CID 52936816
[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-2,3,6,6a-tetrahydro-1H-pentalen-1-yl] acetate
CID 52937450
[(2R,3aS,6aR)-5-hexyl-6-phenyl-6a-(1-phenylethenyl)-2,3,3a,4-tetrahydro-1H-pentalen-2-yl] acetate
CID 52937452
Methyl 1-methyl-2,2-diphenylcyclopropanecarboxylate
CID 228911

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate (CID 10926305) is [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate is C=C1CCC[C@@H]1CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)c1ccccc1.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate?
The InChIKey is KDNNTQKKQJKZHD-JHMKDJTOSA-N. The full InChI is InChI=1S/C24H34O2/c1-17-13-14-21(24(3,4)20-11-6-5-7-12-20)22(15-17)26-23(25)16-19-10-8-9-18(19)2/h5-7,11-12,17,19,21-22H,2,8-10,13-16H2,1,3-4H3/t17-,19-,21-,22-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate?
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-[(1R)-2-methylidenecyclopentyl]acetate has a molecular weight of 354.53 g/mol, XLogP of 6.06, 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-[(1R)-2-methylidenecyclopentyl]acetate is sourced from PubChem (CID 10926305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).