CCCC1CCC(=O)CC1
CAS: 40649-36-3
Name: 4-propylcyclohexan-1-one
SMILES: CCCC1CCC(=O)CC1

Molecular Processing

Molecular formula
C9H16O
Molecular weight
140.23
Exact mass
140.1201
XLogP
2.55
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
41.87

Supplementary Information

InChIKey: NQEDLIZOPMNZMC-UHFFFAOYSA-N
Synonyme
4-Propylcyclohexanone40649-36-34-n-PropylcyclohexanoneCyclohexanone, 4-propyl-DTXSID90481984-propyl-1-cyclohexanoneUNII-9735699W19DTXCID4028173EC 406-810-49735699W194nPropylcyclohexanoneRefChem:100425406-810-4NQEDLIZOPMNZMC-UHFFFAOYSA-N4-propylcyclohexan-1-oneMFCD000586904-propyl-cyclohexanone4-n-propyl-cyclohexanoneSCHEMBL178387SCHEMBL3367229SCHEMBL6589283CHEMBL31872454-Propylcyclohexanone, >=99.0%QBA64936Tox21_303343SBB008421AKOS000120239CS-W002273PS-5320NCGC00257308-01
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