Cedryl acetate
Properties
- Molecular formula
- C17H28O2
- Molar mass
- 264.41 g/mol
- Exact mass
- 264.2089 Da
- logP
- 4.18Crippen estimate
- Polar surface area
- 26.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
- Stereocentres
- R, S, R, S, Rin SMILES atom order
Identifiers
CAS number
77-54-3SMILES
CC(=O)O[C@]1(C)CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3CInChIKey
HQKQRXZEXPXXIG-DTWJZALFSA-NInChI
InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3/t11-,13+,14-,16-,17+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, 6-acetate, (3R,3aS,6R,7R,8aS)-
- 8βH-Cedran-8-ol, acetate
- 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3α,3aβ,6α,7β,8aα)]-
- Cedrol, acetate
- 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, (3R,3aS,6R,7R,8aS)-
Work with Cedryl acetate
Similar compounds
(3R,3As,6S,7R,8as)-octahydro-6-methoxy-3,6,8,8-tetramethyl-1H-3A,7-methanoazulene19870-74-764 % similar
Cedrol77-53-249 % similar
Acetylcedrene32388-55-943 % similar
(-)-Cedrene469-61-441 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds