1-[(2R)-butan-2-yl]-3,5-dimethylbenzene

C12H18 — CID 145157940

IUPAC1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
SMILESCC[C@@H](C)c1cc(C)cc(C)c1
InChIInChI=1S/C12H18/c1-5-11(4)12-7-9(2)6-10(3)8-12/h6-8,11H,5H2,1-4H3/t11-/m1/s1
InChIKeyJRIIFSPDAWMGAN-LLVKDONJSA-N
MW162.28 g/mol
LogP3.82
Rot. Bonds2

About 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene

1-[(2R)-butan-2-yl]-3,5-dimethylbenzene (PubChem CID 145157940) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
PubChem CID145157940
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
SMILESCC[C@@H](C)c1cc(C)cc(C)c1
InChIInChI=1S/C12H18/c1-5-11(4)12-7-9(2)6-10(3)8-12/h6-8,11H,5H2,1-4H3/t11-/m1/s1
InChIKeyJRIIFSPDAWMGAN-LLVKDONJSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene 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-methylbutane;1,3,5-trimethylbenzene
CID 162176469
2-(3,5-dimethylphenyl)propan-1-amine
CID 79003874
1,3-dimethyl-5-tetradecan-2-ylbenzene
CID 54014931
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928
1,3-dibromo-5-butan-2-ylbenzene
CID 54340883
5-(3,5-dimethylphenyl)hexane-2,3-diol
CID 83922432
9,9-bis(3-butan-2-yl-5-methylphenyl)-2,7-dimethylfluorene
CID 123187495
3-(3,5-dimethylphenyl)-N-propylbutan-1-amine
CID 81019638
(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324135
1-[(3-butan-2-ylcyclopenta-1,3-dien-1-yl)-(3,5-dimethylphenyl)methyl]-3,5-dimethylbenzene
CID 140629847
5-butan-2-yl-3-methylbenzene-1,2-diamine
CID 163588283
5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene
CID 168837309

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene (CID 145157940) is 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene is CC[C@@H](C)c1cc(C)cc(C)c1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene?
The InChIKey is JRIIFSPDAWMGAN-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18/c1-5-11(4)12-7-9(2)6-10(3)8-12/h6-8,11H,5H2,1-4H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene?
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene has a molecular weight of 162.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3,5-dimethylbenzene is sourced from PubChem (CID 145157940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).