Molecule ID: 27866

IUPAC Name: 4-methyl-2-(2-methylprop-1-enyl)oxane

Description: The molecule is a member of the class of oxanes that is tetrahydro-2H-pyran which is substituted at positions 2 and 4 by an isoprop-1-enyl group and a methyl group, respectively. Organic compound of the pyran class and the monoterpene class and a fragrance found in roses and rose oil. All four possible stereoisomers are known; the 2S,4R and 2S,4S diastereoisomers [also known as the (-)-cis- and (-)-trans-isomers, respectively] are the main constituents in several essential oils and are used as a food flavouring and in perfumes and cosmetics. It has a role as a plant metabolite. It is a monoterpenoid, a member of oxanes and an olefinic compound.

SMILES: CC(C)=CC1CC(C)CCO1

SELFIES: [C][C][Branch1][C][C][=C][C][C][C][Branch1][C][C][C][C][O][Ring1][#Branch1]

InChI: InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3

Molecular Properties:
- Polar Surface Area: 9.2 Ų
- LogP: 2.9