[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene

C19H30 — CID 158591556

IUPAC[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene
SMILESCC(C)C1CC[C@@H](C(C)C)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C19H30/c1-14(2)17-10-11-19(15(3)4)18(13-17)12-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3/t17?,18-,19+/m1/s1
InChIKeyQGBJXHWKBTWPKJ-CPSIJMPNSA-N
MW258.45 g/mol
LogP5.57
Rot. Bonds4

About [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene

[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene (PubChem CID 158591556) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene.

Molecular Properties

Compound Name[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene
PubChem CID158591556
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Name[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene
SMILESCC(C)C1CC[C@@H](C(C)C)[C@H](Cc2ccccc2)C1
InChIInChI=1S/C19H30/c1-14(2)17-10-11-19(15(3)4)18(13-17)12-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3/t17?,18-,19+/m1/s1
InChIKeyQGBJXHWKBTWPKJ-CPSIJMPNSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene 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-(4-phenylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 114334467
[2-[(4-bromophenyl)methyl]-4-propan-2-ylcyclohexyl]methanamine
CID 81011476
2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 55194345
(1R,2R,4S)-2-benzyl-4-propan-2-ylcyclohexan-1-amine;2-benzyl-4-propan-2-ylcyclohexan-1-amine;(1R,2R,4R)-2,4-dimethyl-1-propan-2-ylcyclohexane;2,4-dimethyl-1-propan-2-ylcyclohexane;methane;(1R,3S,4S)-3-methyl-4-propan-2-ylcyclohexan-1-amine;tris(N-methyl-4-propan-2-ylcyclohexan-1-amine);tris(1-methyl-4-propan-2-ylcyclohexane);[(1S,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl]methylbenzene
CID 158811197
3-(2-bromo-5-propan-2-ylcyclohexyl)propylbenzene
CID 63473396
(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 99949065
2-[(3-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81020336
2-(2-hydroxy-2-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423639
2-[(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 79422834
N-[[4-propan-2-yl-2-(pyridin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 81029704
2-[(3-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401547
1-(2-benzylcyclobutyl)-2-methylpropan-1-one
CID 123708606

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene?
The IUPAC name of [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene (CID 158591556) is [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene.
What is the SMILES notation for [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene?
The canonical SMILES for [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene is CC(C)C1CC[C@@H](C(C)C)[C@H](Cc2ccccc2)C1.
What is the InChIKey of [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene?
The InChIKey is QGBJXHWKBTWPKJ-CPSIJMPNSA-N. The full InChI is InChI=1S/C19H30/c1-14(2)17-10-11-19(15(3)4)18(13-17)12-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3/t17?,18-,19+/m1/s1.
What are the key properties of [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene?
[(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene has a molecular weight of 258.45 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2,5-di(propan-2-yl)cyclohexyl]methylbenzene is sourced from PubChem (CID 158591556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).