CCCCCC1C(CCC1O)CC(=O)O
名称: 2-[(1R,2S,3R)-3-hydroxy-2-pentylcyclopentyl]acetic acid
SMILES: CCCCCC1C(CCC1O)CC(=O)O

Molecular Processing

Molecular formula
C12H22O3
Molecular weight
214.3
Exact mass
214.1569
XLogP
2.43
TPSA
57.53
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
15
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
58.62

Supplementary Information

InChIKey: AXMWVEOITAQHFI-OUAUKWLOSA-N
同義語
SCHEMBL8674597AXMWVEOITAQHFI-OUAUKWLOSA-N(+)-(1R,2S,3R)-3-hydroxy-2-pentyl-1-cyclopentaneacetic acid
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