2,4-diethyl-1-pent-4-ynylbenzene

C15H20 — CID 123845547

IUPAC2,4-diethyl-1-pent-4-ynylbenzene
SMILESC#CCCCc1ccc(CC)cc1CC
InChIInChI=1S/C15H20/c1-4-7-8-9-15-11-10-13(5-2)12-14(15)6-3/h1,10-12H,5-9H2,2-3H3
InChIKeyUDVRUDYSJAYXLU-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.77
Rot. Bonds5

About 2,4-diethyl-1-pent-4-ynylbenzene

2,4-diethyl-1-pent-4-ynylbenzene (PubChem CID 123845547) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,4-diethyl-1-pent-4-ynylbenzene.

Molecular Properties

Compound Name2,4-diethyl-1-pent-4-ynylbenzene
PubChem CID123845547
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name2,4-diethyl-1-pent-4-ynylbenzene
SMILESC#CCCCc1ccc(CC)cc1CC
InChIInChI=1S/C15H20/c1-4-7-8-9-15-11-10-13(5-2)12-14(15)6-3/h1,10-12H,5-9H2,2-3H3
InChIKeyUDVRUDYSJAYXLU-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene
CID 139601632
N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine
CID 154954779
1-ethyl-4-hex-5-ynylbenzene
CID 90962288
2-(3-chloropropyl)-1,4-diethylbenzene
CID 83920895
(2,4-diethylphenyl)methanol
CID 21414896
4-ethyl-2-nitro-1-pent-4-ynoxybenzene
CID 112548324
1,4-diethyl-2-hex-3-ynylbenzene
CID 83920971
1,2-diethyl-4-propylbenzene
CID 54363919
2-(2,5-diethylphenyl)ethanamine
CID 117277667
2-[4-(2-aminoethyl)-3-ethylphenyl]ethanamine
CID 55266705
4-[[4-[19-[4-[(4-aminophenyl)methyl]-2-ethylphenyl]nonadecyl]-3-ethylphenyl]methyl]aniline
CID 22919524
4-(5-ethyl-2-hydroxyphenyl)-6-hex-5-ynyl-2,3-dimethoxyphenol
CID 134242006

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1-pent-4-ynylbenzene?
The IUPAC name of 2,4-diethyl-1-pent-4-ynylbenzene (CID 123845547) is 2,4-diethyl-1-pent-4-ynylbenzene.
What is the SMILES notation for 2,4-diethyl-1-pent-4-ynylbenzene?
The canonical SMILES for 2,4-diethyl-1-pent-4-ynylbenzene is C#CCCCc1ccc(CC)cc1CC.
What is the InChIKey of 2,4-diethyl-1-pent-4-ynylbenzene?
The InChIKey is UDVRUDYSJAYXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-4-7-8-9-15-11-10-13(5-2)12-14(15)6-3/h1,10-12H,5-9H2,2-3H3.
What are the key properties of 2,4-diethyl-1-pent-4-ynylbenzene?
2,4-diethyl-1-pent-4-ynylbenzene has a molecular weight of 200.32 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-1-pent-4-ynylbenzene is sourced from PubChem (CID 123845547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).