CCCCCC1CCC(C(=O)O)CC1
CAS: 38792-89-1
Name: 4-pentylcyclohexane-1-carboxylic acid
SMILES: CCCCCC1CCC(C(=O)O)CC1

Molecular Processing

Molecular formula
C12H22O2
Molecular weight
198.31
Exact mass
198.162
XLogP
3.46
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
57.23

Supplementary Information

InChIKey: RVLAXPQGTRTHEV-UHFFFAOYSA-N
Synonyms
4-Pentylcyclohexanecarboxylic acid38792-89-1RefChem:526262690-175-5trans-4-Pentylcyclohexanecarboxylic acid38289-29-14-pentylcyclohexane-1-carboxylic acidCyclohexanecarboxylic acid, 4-pentyl-trans-4-n-Pentylcyclohexanecarboxylic acidCyclohexanecarboxylic acid, 4-pentyl-, trans-(1s,4r)-4-pentylcyclohexane-1-carboxylic acidMFCD00009964MFCD00466238S86CWG6K6QMLS0000846644-amylcyclohexanecarboxylic acid4-Pentylcyclohexylcarboxylic acidNSC-173074SMR000019012trans-4-Amylcyclohexanecarboxylic Acid4-pentylcyclohexanecarboxylicacid4-n-Pentylcyclohexane carboxylic acidNSC 173074ZLI 1153trans-4-n-pentyl-cyclohexanecarboxylic acidUNII-S86CWG6K6Qcid_98882SCHEMBL503716SCHEMBL503717REGID_for_CID_98882
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Involved in 20 reactions→

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