1.0
2011-09-26 22:54:08 UTC
2015-07-21 07:00:12 UTC
FDB029676
cis-tetrahydro-4-methyl-2-(2-methyl-1-propenyl)-2H-pyran
Flavouring compound [Flavornet]
C10H18O
154.253
154.1357652
(2R,4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane
(2R,4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane
876-17-5
[H][C@]1(C)CCO[C@]([H])(C1)C=C(C)C
InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m0/s1
CZCBTSFUTPZVKJ-UWVGGRQHSA-N
logp
3.30
logs
-2.62
solubility
3.74e-01 g/l
logp
2.68
pka_strongest_basic
-4.2
iupac
(2R,4S)-4-methyl-2-(2-methylprop-1-en-1-yl)oxane
average_mass
154.253
mono_mass
154.1357652
smiles
[H][C@]1(C)CCO[C@]([H])(C1)C=C(C)C
formula
C10H18O
inchi
InChI=1S/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h6,9-10H,4-5,7H2,1-3H3/t9-,10-/m0/s1
inchikey
CZCBTSFUTPZVKJ-UWVGGRQHSA-N
polar_surface_area
9.23
refractivity
48.49
polarizability
19.33
rotatable_bond_count
1
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsMs
1259425
Specdb::MsMs
1259426
Specdb::MsMs
1259427
Specdb::MsMs
1374556
Specdb::MsMs
1374557
Specdb::MsMs
1374558
Specdb::MsMs
3607141
Specdb::MsMs
3607142
Specdb::MsMs
3607143
Specdb::MsMs
3607144
Specdb::MsMs
3607145
Specdb::MsMs
3607146
flower
green