tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one

C82H172O12 — CID 159195427

About tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one

tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one (PubChem CID 159195427) has the molecular formula C82H172O12 and a molecular weight of 1350.27 g/mol. Its IUPAC name is tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one.

Molecular Properties

• Compound Name: tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one
• PubChem CID: 159195427
• Molecular Formula: C82H172O12
• Molecular Weight: 1350.27 g/mol
• Exact Mass: 1349.28
• IUPAC Name: tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one
• SMILES: C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC(O)C(=O)C(C)(C)C.CC(OC(=O)C(C)(C)C)C(=O)OC(C)C(=O)C(C)(C)C.CC(OC(=O)C(C)(C)C)C(=O)OC1CCCCC1.OC1CCCCC1
• InChI: InChI=1S/C15H26O5.C14H24O4.C7H14O2.C6H12O.4C6H12.8C2H6/c1-9(11(16)14(3,4)5)19-12(17)10(2)20-13(18)15(6,7)8;1-10(17-13(16)14(2,3)4)12(15)18-11-8-6-5-7-9-11;1-5(8)6(9)7(2,3)4;7-6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;8*1-2/h9-10H,1-8H3;10-11H,5-9H2,1-4H3;5,8H,1-4H3;6-7H,1-5H2;4*1-6H2;8*1-2H3
• InChIKey: KOPGSIGXUSZCCG-UHFFFAOYSA-N
• XLogP: 25.22
• TPSA: 179.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.27
LogP ≤ 5	25.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one?

The IUPAC name of tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one (CID 159195427) is tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one.

What is the SMILES notation for tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one?

The canonical SMILES for tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one is C1CCCCC1.C1CCCCC1.C1CCCCC1.C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC(O)C(=O)C(C)(C)C.CC(OC(=O)C(C)(C)C)C(=O)OC(C)C(=O)C(C)(C)C.CC(OC(=O)C(C)(C)C)C(=O)OC1CCCCC1.OC1CCCCC1.

What is the InChIKey of tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one?

The InChIKey is KOPGSIGXUSZCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5.C14H24O4.C7H14O2.C6H12O.4C6H12.8C2H6/c1-9(11(16)14(3,4)5)19-12(17)10(2)20-13(18)15(6,7)8;1-10(17-13(16)14(2,3)4)12(15)18-11-8-6-5-7-9-11;1-5(8)6(9)7(2,3)4;7-6-4-2-1-3-5-6;4*1-2-4-6-5-3-1;8*1-2/h9-10H,1-8H3;10-11H,5-9H2,1-4H3;5,8H,1-4H3;6-7H,1-5H2;4*1-6H2;8*1-2H3.

What are the key properties of tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one?

tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one has a molecular weight of 1350.27 g/mol, XLogP of 25.22, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(cyclohexane);cyclohexanol;(1-cyclohexyloxy-1-oxopropan-2-yl) 2,2-dimethylpropanoate;[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2,2-dimethylpropanoate;ethane;4-hydroxy-2,2-dimethylpentan-3-one is sourced from PubChem (CID 159195427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).