chempirical

Citronellyl formate

C11H20O2CAS 105-85-1184.28 g/mol

Open in Covalent MOL file
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AlkeneEster

Properties

Molecular formula
C11H20O2
Molar mass
184.28 g/mol
Exact mass
184.1463 Da
logP
2.93Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
7

Identifiers

CAS number
105-85-1
SMILES
CC(C)=CCCC(C)CCOC=O
InChIKey
DZNVIZQPWLDQHI-UHFFFAOYSA-N
InChI
InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • 6-Octen-1-ol, 3,7-dimethyl-, 1-formate
  • 6-Octen-1-ol, 3,7-dimethyl-, formate
  • Citronellol, formate
  • NSC 46117
  • 3,7-Dimethyl-6-octen-1-ol formate
  • 3,7-Dimethyl-6-octen-1-yl formate
  • 3,7-Dimethyloct-6-en-1-yl formate

Work with Citronellyl formate

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

Citronellyl acetate150-84-561 % similar Citronellol106-22-957 % similar (+)-Citronellol1117-61-957 % similar Citronellol26489-01-057 % similar L-Citronellol7540-51-457 % similar Citronellyl propionate141-14-056 % similar Citronellal106-23-056 % similar (R)-Citronellal2385-77-556 % similar

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

Same formula

2-Ethylhexyl acrylate103-11-7 γ-Undecalactone104-67-6 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-4 Undecylenic acid112-38-9 Octyl acrylate2499-59-4 cis-3-Hexenyl isovalerate35154-45-1 cis-3-Hexenyl valerate35852-46-1 Buciclic acid38289-28-0

Elsewhere

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