2-ethyl-4-heptyl-1-methylbenzene

C16H26 — CID 58289217

IUPAC2-ethyl-4-heptyl-1-methylbenzene
SMILESCCCCCCCc1ccc(C)c(CC)c1
InChIInChI=1S/C16H26/c1-4-6-7-8-9-10-15-12-11-14(3)16(5-2)13-15/h11-13H,4-10H2,1-3H3
InChIKeyGUBQMMFBAZFHMO-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.07
Rot. Bonds7

About 2-ethyl-4-heptyl-1-methylbenzene

2-ethyl-4-heptyl-1-methylbenzene (PubChem CID 58289217) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-ethyl-4-heptyl-1-methylbenzene.

Molecular Properties

Compound Name2-ethyl-4-heptyl-1-methylbenzene
PubChem CID58289217
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2-ethyl-4-heptyl-1-methylbenzene
SMILESCCCCCCCc1ccc(C)c(CC)c1
InChIInChI=1S/C16H26/c1-4-6-7-8-9-10-15-12-11-14(3)16(5-2)13-15/h11-13H,4-10H2,1-3H3
InChIKeyGUBQMMFBAZFHMO-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.07
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

1-methyl-2-[(2-methyl-5-octylphenyl)methyl]-4-octylbenzene
CID 20659544
4-ethyl-2-hexyl-1-methylbenzene
CID 54443410
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932
2-(5-dodecyl-2-methylphenyl)ethanamine;hydrochloride
CID 173426031
1,2-dimethyl-4-octylbenzene
CID 14044616
2,4-dihexyl-1-methylbenzene;toluene
CID 173347627
2-ethyl-4-heptylphenol
CID 58289223
4-(2-bromoethyl)-1-methyl-2-pentylbenzene
CID 23435940
2-(4-methyl-3-pentadecylphenyl)acetic acid
CID 141255119
2-ethyl-5-nonylphenol
CID 54394722
CID 175900742
CID 175900742

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-heptyl-1-methylbenzene?
The IUPAC name of 2-ethyl-4-heptyl-1-methylbenzene (CID 58289217) is 2-ethyl-4-heptyl-1-methylbenzene.
What is the SMILES notation for 2-ethyl-4-heptyl-1-methylbenzene?
The canonical SMILES for 2-ethyl-4-heptyl-1-methylbenzene is CCCCCCCc1ccc(C)c(CC)c1.
What is the InChIKey of 2-ethyl-4-heptyl-1-methylbenzene?
The InChIKey is GUBQMMFBAZFHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-4-6-7-8-9-10-15-12-11-14(3)16(5-2)13-15/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-4-heptyl-1-methylbenzene?
2-ethyl-4-heptyl-1-methylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.07, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-heptyl-1-methylbenzene is sourced from PubChem (CID 58289217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).