2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene

C17H26 — CID 134964067

IUPAC2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C17H26/c1-13-10-11-16(14(2)12-13)17(3,4)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyPNHZYHPLDUGAPO-IIAWOOMASA-N
MW230.40 g/mol
LogP5.04
Rot. Bonds2

About 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene

2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene (PubChem CID 134964067) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
PubChem CID134964067
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
SMILESC[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C17H26/c1-13-10-11-16(14(2)12-13)17(3,4)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyPNHZYHPLDUGAPO-IIAWOOMASA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
2-(2,5-dimethylcyclohexyl)propan-2-ylbenzene
CID 154060563
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
2-[(1S,2S,4R)-2-bromo-4-methylcyclohexyl]propan-2-ylbenzene
CID 46737239
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
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,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexane-1-carbaldehyde
CID 10514464
2-[(1R,2R,4R)-2-cyclopenta-1,3-dien-1-yl-4-methylcyclohexyl]propan-2-ylbenzene
CID 134973601
[(5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2,2-dimethylpropanoate
CID 173009492
[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxopropanoate
CID 13141742

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene?
The IUPAC name of 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene (CID 134964067) is 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene.
What is the SMILES notation for 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene?
The canonical SMILES for 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene is C[C@@H]1CC[C@@H](C(C)(C)c2ccccc2)[C@H](C)C1.
What is the InChIKey of 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene?
The InChIKey is PNHZYHPLDUGAPO-IIAWOOMASA-N. The full InChI is InChI=1S/C17H26/c1-13-10-11-16(14(2)12-13)17(3,4)15-8-6-5-7-9-15/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14-,16-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene?
2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene has a molecular weight of 230.40 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene is sourced from PubChem (CID 134964067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).