CCC1CCC(=O)CC1
CAS: 5441-51-0
Name: 4-ethylcyclohexan-1-one
SMILES: CCC1CCC(=O)CC1

Molecular Processing

Molecular formula
C8H14O
Molecular weight
126.2
Exact mass
126.1045
XLogP
2.16
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
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
0.875
Molar refractivity
37.26

Supplementary Information

InChIKey: OKSDJGWHKXFVME-UHFFFAOYSA-N
Synonyms
4-Ethylcyclohexanone5441-51-0Cyclohexanone, 4-ethyl-EINECS 226-629-2DTXSID20202807NSC 21120RefChem:522858DTXCID10125298226-629-24-ethylcyclohexan-1-oneMFCD00001644NSC-21120NSC211204-Ethyl-cyclohexanone4-Ethyl-1-cyclohexanone4-Ethylcyclohexanone, 97%6ERC99KWN8SCHEMBL87369SCHEMBL6591999SCHEMBL27507043OKSDJGWHKXFVME-UHFFFAOYSA-SBB059272AKOS000119710CS-W011153DS-14332DB-009039CS-0226152E0398NS00022347ST51037923
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