CC1CCC(CC1)C(=O)Cl
CAS: 58752-86-6
Name: 4-methylcyclohexane-1-carbonyl chloride
SMILES: CC1CCC(CC1)C(=O)Cl

Molecular Processing

Molecular formula
C8H13ClO
Molecular weight
160.64
Exact mass
160.0655
XLogP
2.58
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
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
0.875
Molar refractivity
41.98

Supplementary Information

InChIKey: ODYARUXXIJYYNA-UHFFFAOYSA-N
Synonyme
4-methylcyclohexane-1-carbonyl chloride58752-86-6RefChem:525567990-329-44-methylcyclohexanecarbonyl chloride55930-23-9trans-4-Methylcyclohexanecarbonyl chlorideC8H13ClOMFCD17012702MFCD242309604-Methylcyclohexanecarboxylic acid chloridetrans-4-Methylcyclohexane-1-carbonyl chloride4-Methyl-1-cyclohexanecarbonyl chloride4-METHYL-CYCLOHEXANECARBONYL CHLORIDE4-methylcyclohexanoyl chlorideSCHEMBL134210SCHEMBL318696SCHEMBL10723720ODYARUXXIJYYNA-LJGSYFOKSA-NODYARUXXIJYYNA-UHFFFAOYSA-N4-Methylcylohexanecarbonyl chlorideAKOS017343720trans 4-methylcyclohexylcarbonyl chloridetrans-4-methylcyclohexylcarbonyl chloridetrans-4-methylcylohexanecarbonyl chloridetrans 4-methylcyclohexyl carbonyl chloridetrans-4-methyl cyclohexanecarbonyl chlorideTrans-4-methyl-cyclohexanecarbonyl chloridetrans-4-methylcyclohexane carbonyl chlorideDB-306083
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