1-ethyl-3,5-di(tetradecyl)benzene

C36H66 — CID 91801932

IUPAC1-ethyl-3,5-di(tetradecyl)benzene
SMILESCCCCCCCCCCCCCCc1cc(CC)cc(CCCCCCCCCCCCCC)c1
InChIInChI=1S/C36H66/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-35-31-34(6-3)32-36(33-35)30-28-26-24-22-20-18-16-14-12-10-8-5-2/h31-33H,4-30H2,1-3H3
InChIKeyBQTOEAGXMNVIMD-UHFFFAOYSA-N
MW498.92 g/mol
LogP12.74
Rot. Bonds27

About 1-ethyl-3,5-di(tetradecyl)benzene

1-ethyl-3,5-di(tetradecyl)benzene (PubChem CID 91801932) has the molecular formula C36H66 and a molecular weight of 498.92 g/mol. Its IUPAC name is 1-ethyl-3,5-di(tetradecyl)benzene.

Molecular Properties

Compound Name1-ethyl-3,5-di(tetradecyl)benzene
PubChem CID91801932
Molecular FormulaC36H66
Molecular Weight498.92 g/mol
Exact Mass498.52
IUPAC Name1-ethyl-3,5-di(tetradecyl)benzene
SMILESCCCCCCCCCCCCCCc1cc(CC)cc(CCCCCCCCCCCCCC)c1
InChIInChI=1S/C36H66/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-35-31-34(6-3)32-36(33-35)30-28-26-24-22-20-18-16-14-12-10-8-5-2/h31-33H,4-30H2,1-3H3
InChIKeyBQTOEAGXMNVIMD-UHFFFAOYSA-N
XLogP12.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.92
LogP ≤ 512.74
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-heptyl-5-propylbenzene
CID 141210303
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
1,3,5-tris[(E)-2-(3,5-dihexylphenyl)ethenyl]benzene
CID 101355748
(3,5-dioctylphenyl)-trimethylsilane
CID 156630407
5-ethyl-1,2,3-tri(tetracosyl)benzene
CID 90881176

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-di(tetradecyl)benzene?
The IUPAC name of 1-ethyl-3,5-di(tetradecyl)benzene (CID 91801932) is 1-ethyl-3,5-di(tetradecyl)benzene.
What is the SMILES notation for 1-ethyl-3,5-di(tetradecyl)benzene?
The canonical SMILES for 1-ethyl-3,5-di(tetradecyl)benzene is CCCCCCCCCCCCCCc1cc(CC)cc(CCCCCCCCCCCCCC)c1.
What is the InChIKey of 1-ethyl-3,5-di(tetradecyl)benzene?
The InChIKey is BQTOEAGXMNVIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-35-31-34(6-3)32-36(33-35)30-28-26-24-22-20-18-16-14-12-10-8-5-2/h31-33H,4-30H2,1-3H3.
What are the key properties of 1-ethyl-3,5-di(tetradecyl)benzene?
1-ethyl-3,5-di(tetradecyl)benzene has a molecular weight of 498.92 g/mol, XLogP of 12.74, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-di(tetradecyl)benzene is sourced from PubChem (CID 91801932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).