1-Phenyl-1-octyne

C₁₄H₁₈CAS 16967-02-5186.30 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₈
Molar mass: 186.30 g/mol
Exact mass: 186.1409 Da
logP: 4.01Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

16967-02-5

SMILES

CCCCCCC#CC1=CC=CC=C1

InChIKey

YVCYLGYUDUYFQZ-UHFFFAOYSA-N

InChI

InChI=1S/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6H2,1H3

Weigh it out

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

Work with 1-Phenyl-1-octyne

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

1-Heptyn-1-ylbenzene14374-45-996 % similar 1-Hexyn-1-ylbenzene1129-65-385 % similar 1-Pentyn-1-ylbenzene4250-81-171 % similar 1-Phenyl-1-butyne622-76-453 % similar 4-Hex-1-ynylbenzaldehyde175203-90-451 % similar Decylbenzene104-72-350 % similar Hexylbenzene1077-16-350 % similar Heptylbenzene1078-71-350 % similar

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

Same formula

1,2,3,4,5,6,7,8-Octahydrophenanthrene5325-97-3 1-Eth-1-ynyl-4-hexylbenzene79887-11-9

Elsewhere

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