4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene

C17H24 — CID 83927593

IUPAC4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene
SMILESCC#CCCc1cc(C(C)(C)C)ccc1CC
InChIInChI=1S/C17H24/c1-6-8-9-10-15-13-16(17(3,4)5)12-11-14(15)7-2/h11-13H,7,9-10H2,1-5H3
InChIKeyUFLHTBYQBIMNAD-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.50
Rot. Bonds3

About 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene

4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene (PubChem CID 83927593) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene.

Molecular Properties

Compound Name4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene
PubChem CID83927593
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene
SMILESCC#CCCc1cc(C(C)(C)C)ccc1CC
InChIInChI=1S/C17H24/c1-6-8-9-10-15-13-16(17(3,4)5)12-11-14(15)7-2/h11-13H,7,9-10H2,1-5H3
InChIKeyUFLHTBYQBIMNAD-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromopropyl)-4-tert-butyl-1-ethylbenzene
CID 83927526
2-[2-(5-tert-butyl-2-ethylphenyl)ethyl]propane-1,3-diamine
CID 83927536
1,4-diethyl-2-hex-3-ynylbenzene
CID 83920971
2-(3,4-diethylphenyl)-2-methylpropan-1-ol
CID 117295283
ethyl 2-[4-tert-butyl-2-(2-ethoxy-2-oxoethyl)phenyl]acetate
CID 140674164
2-ethyl-4-(2-methylbutan-2-yl)phenol
CID 13132257
5-(5-tert-butyl-2-ethylphenyl)-4-methylpentan-2-one
CID 83927567
4-tert-butyl-2-ethylbenzenecarbothioic S-acid
CID 23337774
2-(4-bromophenyl)hept-5-yn-2-ol
CID 104809274
2-(4-chlorophenyl)hept-5-yn-2-ol
CID 104809269
1-(4-tert-butyl-2,6-dimethylphenyl)hept-5-yn-2-one
CID 104803053
3-(4-tert-butyl-2-ethylphenyl)prop-2-ynoic acid
CID 66876838

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene?
The IUPAC name of 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene (CID 83927593) is 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene.
What is the SMILES notation for 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene?
The canonical SMILES for 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene is CC#CCCc1cc(C(C)(C)C)ccc1CC.
What is the InChIKey of 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene?
The InChIKey is UFLHTBYQBIMNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24/c1-6-8-9-10-15-13-16(17(3,4)5)12-11-14(15)7-2/h11-13H,7,9-10H2,1-5H3.
What are the key properties of 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene?
4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene has a molecular weight of 228.38 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethyl-2-pent-3-ynylbenzene is sourced from PubChem (CID 83927593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).