chempirical

2,4,7,9-Tetramethyl-5-decyne-4,7-diol

C14H26O2CAS 126-86-3226.36 g/mol

Open in Covalent MOL file
HOOH
AlcoholAlkyne

Properties

Molecular formula
C14H26O2
Molar mass
226.36 g/mol
Exact mass
226.1933 Da
Melting point
56–60 °C
Boiling point
153–157 °C (at 20 Torr)
logP
2.58Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 1,913 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
126-86-3
SMILES
CC(C)CC(C)(O)C#CC(C)(O)CC(C)C
InChIKey
LXOFYPKXCSULTL-UHFFFAOYSA-N
InChI
InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3

Weigh it out

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

Names and synonyms

31 names · show all
  • 5-Decyne-4,7-diol, 2,4,7,9-tetramethyl-
  • Surfynol 104
  • Surfynol 104A
  • Surfynol 104E
  • 1,4-Diisobutyl-1,4-dimethylbutynediol
  • Surfynol TG
  • Surfynol 104H
  • Surfynol 104PA
  • Olfine STG-E
  • Surfynol CT 111
  • Surfynol 104BC
  • NSC 5630
  • Olfine AK 02
  • 2,4,7,9-Tetramethyl-5-decyn-4,7-diol
  • Acetylenol E 00
  • Olfine PD 301
  • PD 301
  • 104E
  • Zetasperse 1200
  • Surfynol PG 50
  • LA-W 1092
  • Olfine PD 001
  • 104H
  • Surfadol 541
  • TMDDO
  • TMDD
  • GS 850PA
  • Tuyile FS 204
  • Surfynol DF 104E
  • PD 001
  • 104BC

Work with 2,4,7,9-Tetramethyl-5-decyne-4,7-diol

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

3,5-Dimethyl-1-hexyn-3-ol107-54-065 % similar 3,6-Dimethyl-4-octyne-3,6-diol78-66-048 % similar 3,6-Dimethyl-1-heptyn-3-ol19549-98-547 % similar 4,7-Dimethyl-5-decyn-4,7-diol126-87-444 % similar 2,2,4-Trimethylpentane540-84-142 % similar 3,5-Dimethyl-3-hexanol4209-91-041 % similar 4,6-Dimethylhept-1-en-4-ol32189-75-636 % similar 2,5-Dimethyl-2-hexanol3730-60-734 % similar

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

Same formula

Citronellyl butyrate141-16-2 (Z)-7-Dodecenyl acetate14959-86-5 Vinyl laurate2146-71-6 δ-Tetradecalactone2721-22-4 (Z)-8-Dodecenyl acetate28079-04-1 Citral diethyl acetal7492-66-2

Elsewhere

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