2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene

C21H27- — CID 134973601

IUPAC2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](c2ccc[cH-]2)C1
InChIInChI=1S/C21H27/c1-16-13-14-20(19(15-16)17-9-7-8-10-17)21(2,3)18-11-5-4-6-12-18/h4-12,16,19-20H,13-15H2,1-3H3/q-1/t16-,19+,20-/m1/s1
InChIKeyASFWKQHQYIZKDT-LSTHTHJFSA-N
MW279.45 g/mol
LogP5.90
Rot. Bonds3

About 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene

2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene (PubChem CID 134973601) has the molecular formula C21H27- and a molecular weight of 279.45 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene
PubChem CID134973601
Molecular FormulaC21H27-
Molecular Weight279.45 g/mol
Exact Mass279.21
IUPAC Name2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](c2ccc[cH-]2)C1
InChIInChI=1S/C21H27/c1-16-13-14-20(19(15-16)17-9-7-8-10-17)21(2,3)18-11-5-4-6-12-18/h4-12,16,19-20H,13-15H2,1-3H3/q-1/t16-,19+,20-/m1/s1
InChIKeyASFWKQHQYIZKDT-LSTHTHJFSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.45
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
CID 134964067
2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
2-[(1S,2S,4R)-2-bromo-4-methylcyclohexyl]propan-2-ylbenzene
CID 46737239
(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde
CID 10514464
2-(2,5-dimethylcyclohexyl)propan-2-ylbenzene
CID 154060563
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene
CID 155710062
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl]-(3-phenylprop-2-ynylidene)oxidanium
CID 11273869
[(5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2,2-dimethylpropanoate
CID 173009492

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene?
The IUPAC name of 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene (CID 134973601) is 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene.
What is the SMILES notation for 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene?
The canonical SMILES for 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](c2ccc[cH-]2)C1.
What is the InChIKey of 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene?
The InChIKey is ASFWKQHQYIZKDT-LSTHTHJFSA-N. The full InChI is InChI=1S/C21H27/c1-16-13-14-20(19(15-16)17-9-7-8-10-17)21(2,3)18-11-5-4-6-12-18/h4-12,16,19-20H,13-15H2,1-3H3/q-1/t16-,19+,20-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene?
2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene has a molecular weight of 279.45 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene is sourced from PubChem (CID 134973601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).