5-Phenyl-1-pentyne

C₁₁H₁₂CAS 1823-14-9144.22 g/mol

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Properties

Molecular formula: C₁₁H₁₂
Molar mass: 144.22 g/mol
Exact mass: 144.0939 Da
Melting point: 103–106 °C
Boiling point: 94 °C (at 50 Torr)
logP: 2.64Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

1823-14-9

SMILES

C#CCCCc1ccccc1

InChIKey

KOSORCNALVBYBP-UHFFFAOYSA-N

InChI

InChI=1S/C11H12/c1-2-3-5-8-11-9-6-4-7-10-11/h1,4,6-7,9-10H,3,5,8H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Benzene, 4-pentyn-1-yl-
1-Pentyne, 5-phenyl-
Benzene, 4-pentynyl-
4-Pentyn-1-ylbenzene
1-Phenyl-4-pentyne
NSC 102794
4-Pentynylbenzene

Work with 5-Phenyl-1-pentyne

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzenebutanenitrile2046-18-656 % similar 1,3-Diphenylpropane1081-75-052 % similar Bibenzyl103-29-748 % similar 1,6-Heptadiyne2396-63-648 % similar 1,7-Octadiyne871-84-148 % similar Benzenepropanenitrile645-59-046 % similar 1,9-Decadiyne1720-38-345 % similar 1,8-Nonadiyne2396-65-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Pentyn-1-ylbenzene4250-81-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook