chempirical

1-Octadecyne

C18H34CAS 629-89-0250.47 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C18H34
Molar mass
250.47 g/mol
Exact mass
250.2661 Da
Melting point
22.5 °C
Boiling point
313 °C
logP
6.49Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
14

Identifiers

CAS number
629-89-0
SMILES
C#CCCCCCCCCCCCCCCCC
InChIKey
IYDNQWWOZQLMRH-UHFFFAOYSA-N
InChI
InChI=1S/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3

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

Work with 1-Octadecyne

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Undecyne2243-98-3100 % similar 1-Heptadecyne26186-00-5100 % similar 1-Tridecyne26186-02-7100 % similar 1-Nonyne3452-09-3100 % similar 1-Octyne629-05-0100 % similar 1-Hexadecyne629-74-3100 % similar 1-Decyne764-93-2100 % similar 1-Dodecyne765-03-7100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook