Theaspirane

C₁₃H₂₂OCAS 36431-72-8194.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₂O
Molar mass: 194.32 g/mol
Exact mass: 194.1671 Da
logP: 3.69Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

36431-72-8

SMILES

CC1=CCCC(C)(C)C12CCC(C)O2

InChIKey

GYUZHTWCNKINPY-UHFFFAOYSA-N

InChI

InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3

Weigh it out

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

Names and synonyms

2 names

1-Oxaspiro[4.5]dec-6-ene, 2,6,10,10-tetramethyl-
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene

Work with Theaspirane

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

(-)-Isolongifolene1135-66-635 % similar

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

Same formula

Cyclohexyl ketone119-60-8 Dihydro-β-ionone17283-81-7 Geranylacetone3796-70-1 6,10-Dimethyl-5,9-undecadien-2-one689-67-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook