4-ethyl-2-hexyl-1-methylbenzene

C15H24 — CID 54443410

IUPAC4-ethyl-2-hexyl-1-methylbenzene
SMILESCCCCCCc1cc(CC)ccc1C
InChIInChI=1S/C15H24/c1-4-6-7-8-9-15-12-14(5-2)11-10-13(15)3/h10-12H,4-9H2,1-3H3
InChIKeyPNFGEZNYQKHOKL-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.68
Rot. Bonds6

About 4-ethyl-2-hexyl-1-methylbenzene

4-ethyl-2-hexyl-1-methylbenzene (PubChem CID 54443410) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 4-ethyl-2-hexyl-1-methylbenzene.

Molecular Properties

Compound Name4-ethyl-2-hexyl-1-methylbenzene
PubChem CID54443410
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name4-ethyl-2-hexyl-1-methylbenzene
SMILESCCCCCCc1cc(CC)ccc1C
InChIInChI=1S/C15H24/c1-4-6-7-8-9-15-12-14(5-2)11-10-13(15)3/h10-12H,4-9H2,1-3H3
InChIKeyPNFGEZNYQKHOKL-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
4-(2-bromoethyl)-1-methyl-2-pentylbenzene
CID 23435940
2-(4-methyl-3-pentadecylphenyl)acetic acid
CID 141255119
2,4-dihexyl-1-methylbenzene;toluene
CID 173347627
2-(3-bromopropyl)-4-ethyl-1-methylbenzene
CID 118842202
1-methyl-2-[(2-methyl-5-octylphenyl)methyl]-4-octylbenzene
CID 20659544
2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride
CID 173426031
1,2-dimethyl-4-octylbenzene
CID 14044616
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176
5-ethyl-2-hexylaniline
CID 22065589

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hexyl-1-methylbenzene?
The IUPAC name of 4-ethyl-2-hexyl-1-methylbenzene (CID 54443410) is 4-ethyl-2-hexyl-1-methylbenzene.
What is the SMILES notation for 4-ethyl-2-hexyl-1-methylbenzene?
The canonical SMILES for 4-ethyl-2-hexyl-1-methylbenzene is CCCCCCc1cc(CC)ccc1C.
What is the InChIKey of 4-ethyl-2-hexyl-1-methylbenzene?
The InChIKey is PNFGEZNYQKHOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-4-6-7-8-9-15-12-14(5-2)11-10-13(15)3/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-ethyl-2-hexyl-1-methylbenzene?
4-ethyl-2-hexyl-1-methylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hexyl-1-methylbenzene is sourced from PubChem (CID 54443410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).