CCCCCC12CCC(C(=O)O)(CC1)CC2
CAS: 73152-70-2
Название: 4-pentylbicyclo[2.2.2]octane-1-carboxylic acid
SMILES: CCCCCC12CCC(C(=O)O)(CC1)CC2

Molecular Processing

Molecular formula
C14H24O2
Molecular weight
224.34
Exact mass
224.1776
XLogP
3.99
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.929
Molar refractivity
64.35

Supplementary Information

InChIKey: IAQHPZFALQQESM-UHFFFAOYSA-N
Синонимы
4-Pentylbicyclo[2.2.2]octane-1-carboxylic acid73152-70-2Bicyclo[2.2.2]octane-1-carboxylicacid, 4-pentyl-MFCD011041804-pentylbicyclo[2.2.2]octanecarboxylic acid4-PentYl-Bicyclo[2.2.2]Octane-1-Carboxylic AcidSCHEMBL836834DTXSID00401134IAQHPZFALQQESM-UHFFFAOYSA-NMFCD00192383SBB012428AKOS015894347AS-67796ST066893SY3232164-pentylbicyclo[2,2,2]octanecarboxylic acidCS-03101564-Pentylbicyclo[2.2.2]octane-1-carboxylicacidC800324-pentyl-bicyclo[2.2.2]octan-1-carboxylic acidF827467SR-01000398879SR-01000398879-14-Pentylbicyclo[2.2.2]octane-1-carboxylic acid, 99%
Источник →
Участвует в 12 реакциях→

Расширенный поиск

Поиск подструктуры→Поиск по сходству→