1-ethyl-3-heptyl-5-propylbenzene

C18H30 — CID 141210303

IUPAC1-ethyl-3-heptyl-5-propylbenzene
SMILESCCCCCCCc1cc(CC)cc(CCC)c1
InChIInChI=1S/C18H30/c1-4-7-8-9-10-12-18-14-16(6-3)13-17(15-18)11-5-2/h13-15H,4-12H2,1-3H3
InChIKeyQLQYILBTUFICBL-UHFFFAOYSA-N
MW246.44 g/mol
LogP5.71
Rot. Bonds9

About 1-ethyl-3-heptyl-5-propylbenzene

1-ethyl-3-heptyl-5-propylbenzene (PubChem CID 141210303) has the molecular formula C18H30 and a molecular weight of 246.44 g/mol. Its IUPAC name is 1-ethyl-3-heptyl-5-propylbenzene.

Molecular Properties

Compound Name1-ethyl-3-heptyl-5-propylbenzene
PubChem CID141210303
Molecular FormulaC18H30
Molecular Weight246.44 g/mol
Exact Mass246.23
IUPAC Name1-ethyl-3-heptyl-5-propylbenzene
SMILESCCCCCCCc1cc(CC)cc(CCC)c1
InChIInChI=1S/C18H30/c1-4-7-8-9-10-12-18-14-16(6-3)13-17(15-18)11-5-2/h13-15H,4-12H2,1-3H3
InChIKeyQLQYILBTUFICBL-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.44
LogP ≤ 55.71
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-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1-butyl-3,5-di(tetradecyl)benzene
CID 91192270
1-ethyl-3-methyl-5-pentylbenzene
CID 142401293
3-ethyl-5-pentylphenol
CID 130224031
1,3-didecyl-5-(3,5-didecylphenyl)benzene
CID 150677432
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
(3,5-dihexylphenyl)methanamine
CID 174558763
1-ethyl-4-octacosylbenzene
CID 175218304
1,3-di(tetradecyl)benzene
CID 91053224
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
2,6-diheptyl-4-propylpyridine
CID 91426264
1,3,5-tris[(E)-2-(3,5-dihexylphenyl)ethenyl]benzene
CID 101355748

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-heptyl-5-propylbenzene?
The IUPAC name of 1-ethyl-3-heptyl-5-propylbenzene (CID 141210303) is 1-ethyl-3-heptyl-5-propylbenzene.
What is the SMILES notation for 1-ethyl-3-heptyl-5-propylbenzene?
The canonical SMILES for 1-ethyl-3-heptyl-5-propylbenzene is CCCCCCCc1cc(CC)cc(CCC)c1.
What is the InChIKey of 1-ethyl-3-heptyl-5-propylbenzene?
The InChIKey is QLQYILBTUFICBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30/c1-4-7-8-9-10-12-18-14-16(6-3)13-17(15-18)11-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-ethyl-3-heptyl-5-propylbenzene?
1-ethyl-3-heptyl-5-propylbenzene has a molecular weight of 246.44 g/mol, XLogP of 5.71, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-heptyl-5-propylbenzene is sourced from PubChem (CID 141210303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).