2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene

C15H24 — CID 144633888

IUPAC2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
SMILESCCCc1ccc(C)c(CC(C)(C)C)c1
InChIInChI=1S/C15H24/c1-6-7-13-9-8-12(2)14(10-13)11-15(3,4)5/h8-10H,6-7,11H2,1-5H3
InChIKeyUXOMULJIAFHWOS-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.54
Rot. Bonds3

About 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene

2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene (PubChem CID 144633888) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
PubChem CID144633888
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene
SMILESCCCc1ccc(C)c(CC(C)(C)C)c1
InChIInChI=1S/C15H24/c1-6-7-13-9-8-12(2)14(10-13)11-15(3,4)5/h8-10H,6-7,11H2,1-5H3
InChIKeyUXOMULJIAFHWOS-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-methyl-5-propylphenyl)acetyl chloride
CID 59115312
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene
CID 20782922
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
1,3-bis(2,2-dimethylpropyl)-5-propylbenzene
CID 171405016
1,2-diethyl-4-propylbenzene
CID 54363919
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
N-ethyl-2-(3-ethyl-4-methylphenyl)ethanamine
CID 139471599
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
1-methyl-2-[(2-methyl-5-octylphenyl)methyl]-4-octylbenzene
CID 20659544
4-tert-butyl-1,2-dimethylbenzene;ethane;4-propylaniline
CID 144536858

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene (CID 144633888) is 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene is CCCc1ccc(C)c(CC(C)(C)C)c1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene?
The InChIKey is UXOMULJIAFHWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-6-7-13-9-8-12(2)14(10-13)11-15(3,4)5/h8-10H,6-7,11H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene?
2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-methyl-4-propylbenzene is sourced from PubChem (CID 144633888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).