1-heptan-4-yl-2,4-dimethylbenzene

C15H24 — CID 142336118

IUPAC1-heptan-4-yl-2,4-dimethylbenzene
SMILESCCCC(CCC)c1ccc(C)cc1C
InChIInChI=1S/C15H24/c1-5-7-14(8-6-2)15-10-9-12(3)11-13(15)4/h9-11,14H,5-8H2,1-4H3
InChIKeyMMOMGAJESVIILY-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.99
Rot. Bonds5

About 1-heptan-4-yl-2,4-dimethylbenzene

1-heptan-4-yl-2,4-dimethylbenzene (PubChem CID 142336118) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-heptan-4-yl-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-heptan-4-yl-2,4-dimethylbenzene
PubChem CID142336118
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-heptan-4-yl-2,4-dimethylbenzene
SMILESCCCC(CCC)c1ccc(C)cc1C
InChIInChI=1S/C15H24/c1-5-7-14(8-6-2)15-10-9-12(3)11-13(15)4/h9-11,14H,5-8H2,1-4H3
InChIKeyMMOMGAJESVIILY-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-heptan-4-yl-2,4-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

3-(2,4-dimethylphenyl)-N-methylhexan-1-amine
CID 112507893
2,4-dimethyl-1-undecan-5-ylbenzene
CID 123380808
1-chloro-2-heptan-4-yl-4-methylbenzene
CID 134594279
1-(2,4-dimethylphenyl)pentane-1,2-diol
CID 103454853
1-(2,4-dimethylphenyl)-2-ethoxypentan-1-amine
CID 116717431
1-(2,4-dimethylphenyl)-3-methylhexan-1-amine
CID 115845282
1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265
5-(2,4-dimethylphenyl)heptan-2-one
CID 83927995
N-[1-(2,4-dimethylphenyl)ethyl]-2-methylpentan-1-amine
CID 63448800
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
CID 106023750
1-(2,4-dimethylphenyl)-3-propoxypropan-1-amine
CID 105145254

Frequently Asked Questions

What is the IUPAC name of 1-heptan-4-yl-2,4-dimethylbenzene?
The IUPAC name of 1-heptan-4-yl-2,4-dimethylbenzene (CID 142336118) is 1-heptan-4-yl-2,4-dimethylbenzene.
What is the SMILES notation for 1-heptan-4-yl-2,4-dimethylbenzene?
The canonical SMILES for 1-heptan-4-yl-2,4-dimethylbenzene is CCCC(CCC)c1ccc(C)cc1C.
What is the InChIKey of 1-heptan-4-yl-2,4-dimethylbenzene?
The InChIKey is MMOMGAJESVIILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-7-14(8-6-2)15-10-9-12(3)11-13(15)4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 1-heptan-4-yl-2,4-dimethylbenzene?
1-heptan-4-yl-2,4-dimethylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-4-yl-2,4-dimethylbenzene is sourced from PubChem (CID 142336118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).