chempirical

Sebacoin

C10H18O2CAS 96-00-4170.25 g/mol

Open in Covalent MOL file
OOH
AlcoholKetone

Properties

Molecular formula
C10H18O2
Molar mass
170.25 g/mol
Exact mass
170.1307 Da
logP
2.05Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
96-00-4
SMILES
C1CCCCC(=O)C(CCC1)O
InChIKey
DFGQDTZCEYGOTO-UHFFFAOYSA-N
InChI
InChI=1S/C10H18O2/c11-9-7-5-3-1-2-4-6-8-10(9)12/h9,11H,1-8H2

Weigh it out

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

Names and synonyms

6 names
  • 2-Hydroxycyclodecan-1-one
  • 2-Hydroxycyclodecanone
  • Cyclodecanone, 2-hydroxy-
  • 1-Cyclodecanol-2-one
  • Sebacoin, (+/-)-
  • 2-Hydroxy-cyclodecan-1-one

Work with Sebacoin

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

5-Hydroxy-4-octanone496-77-552 % similar 2-Cyclohexylcyclohexanone90-42-650 % similar 2-Methylcyclohexanone583-60-846 % similar 2-Bromocyclohexanone822-85-546 % similar 2-Chlorocyclohexanone822-87-746 % similar 1'-Hydroxy-[1,1'-bi(cyclohexan)]-2-one28746-99-845 % similar 2-Hydroxyhexadecanoic acid10067-06-842 % similar 2-Hydroxytetradecanoic acid2507-55-342 % similar

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

Same formula

Methyl 2-nonenoate111-79-5 Linalool oxide1365-19-1 Hexyl methacrylate142-09-6 Allyl heptanoate142-19-8 9-Decenoic acid14436-32-9 Cyclohexyl butyrate1551-44-6 cis-3-Hexenyl butanoate16491-36-4 (+)-Pinanediol18680-27-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook