chempirical

3,6-Dimethyl-1-heptyn-3-ol

C9H16OCAS 19549-98-5140.23 g/mol

Open in Covalent MOL file
HO
Alcohol

Properties

Molecular formula
C9H16O
Molar mass
140.23 g/mol
Exact mass
140.1201 Da
logP
1.81Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
3

Identifiers

CAS number
19549-98-5
SMILES
C#CC(C)(O)CCC(C)C
InChIKey
COWFALGRNJAHKW-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O/c1-5-9(4,10)7-6-8(2)3/h1,8,10H,6-7H2,2-4H3

Weigh it out

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

Names and synonyms

3 names
  • 1-Heptyn-3-ol, 3,6-dimethyl-
  • Surfynol 72
  • NSC 15980

Work with 3,6-Dimethyl-1-heptyn-3-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 Isotope patternExact mass and the mass spectrum pattern

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 4-Methyl-1-octyn-4-ol22128-43-4 cis-6-Nonenal2277-19-2 2,2,6-Trimethylcyclohexanone2408-37-9

Elsewhere

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