chempirical

3-Nonyn-1-ol

C9H16OCAS 31333-13-8140.23 g/mol

Open in Covalent MOL file
OH
AlcoholAlkyne

Properties

Molecular formula
C9H16O
Molar mass
140.23 g/mol
Exact mass
140.1201 Da
Density
0.8837 g/mL (at 17 °C)
Boiling point
103–103.5 °C
logP
1.95Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
4

Identifiers

CAS number
31333-13-8
SMILES
CCCCCC#CCCO
InChIKey
TZZVRLFUTNYDEG-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3

Weigh it out

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

Work with 3-Nonyn-1-ol

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

3-Octyn-1-ol14916-80-486 % similar 7-Hexadecyn-1-ol822-21-978 % similar 3-Heptyn-1-ol14916-79-168 % similar 2-Octyn-1-ol20739-58-667 % similar 2-Nonyn-1-ol5921-73-364 % similar 5-Dodecyne19780-12-264 % similar 5-Decyne1942-46-757 % similar 2-Heptyn-1-ol1002-36-456 % similar

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

Same formula

Cyclohexylacetone103-78-6 (±)-2,6-Dimethyl-5-heptenal106-72-9 1-(2-Propen-1-yl)cyclohexanol1123-34-8 3-Nonen-2-one14309-57-0 2-Nonenal18829-56-6 3,6-Dimethyl-1-heptyn-3-ol19549-98-5 4-Methyl-1-octyn-4-ol22128-43-4 cis-6-Nonenal2277-19-2

Elsewhere

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