C#CC1(CCCCC1)O
CAS: 78-27-3
Name: 1-ethynylcyclohexan-1-ol
SMILES: C#CC1(CCCCC1)O

Molecular Processing

Molecular formula
C8H12O
Molecular weight
124.18
Exact mass
124.0888
XLogP
1.31
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
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
0.75
Molar refractivity
36.87

Supplementary Information

InChIKey: QYLFHLNFIHBCPR-UHFFFAOYSA-N
Synonyme
1-Ethynyl-1-cyclohexanol1-Ethynylcyclohexanol78-27-31-Ethynylcyclohexan-1-olEthynylcyclohexanolCYCLOHEXANOL, 1-ETHYNYL-(1-Hydroxycyclohexyl)ethyne1-Ethynyl-1-hydroxycyclohexaneDTXSID0021757NSC 8194EINECS 201-100-9BRN 04714041-Hydroxy-1-ethynylcyclohexaneAI3-070646RV04025EHNSC-8194DTXCID801757EC 201-100-94-06-00-00348 (Beilstein Handbook Reference)1Ethynyl1cyclohexanol1Ethynylcyclohexan1olCyclohexanol, 1ethynylRefChem:432734(1Hydroxycyclohexyl)ethyne1Ethynyl1hydroxycyclohexaneDTXSID001058894201-100-9InChI=1/C8H12O/c1-2-8(9)6-4-3-5-7-8/h1,9H,3-7H1-ethynyl-cyclohexanol1-ethynyl-cyclohexan-1-ol
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