(1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane

C91H176O17 — CID 161219300

About (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane

(1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane (PubChem CID 161219300) has the molecular formula C91H176O17 and a molecular weight of 1542.39 g/mol. Its IUPAC name is (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane.

Molecular Properties

• Compound Name: (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane
• PubChem CID: 161219300
• Molecular Formula: C91H176O17
• Molecular Weight: 1542.39 g/mol
• Exact Mass: 1541.29
• IUPAC Name: (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane
• SMILES: C.C.C.C.C.C.C.C.CCC1CC(C(CC(=O)OC2(CC)CCCC2)OC(C)=O)C(CC)O1.CCC1CC(C(CC(=O)OC2(CC)CCCC2)OC2CCCCO2)C(CC)O1.CCC1CC(CC(C)(O)CC(=O)OC2(C3CCCC3)CCCC2)C(CC)O1.CCC1OC(CC)C(C(=O)OC2(CC)CCCC2)C1C
• InChI: InChI=1S/C23H40O5.C23H40O4.C20H34O5.C17H30O3.8CH4/c1-4-17-15-18(19(5-2)26-17)20(27-22-11-7-10-14-25-22)16-21(24)28-23(6-3)12-8-9-13-23;1-4-19-14-17(20(5-2)26-19)15-22(3,25)16-21(24)27-23(12-8-9-13-23)18-10-6-7-11-18;1-5-15-12-16(17(6-2)24-15)18(23-14(4)21)13-19(22)25-20(7-3)10-8-9-11-20;1-5-13-12(4)15(14(6-2)19-13)16(18)20-17(7-3)10-8-9-11-17;;;;;;;;/h17-20,22H,4-16H2,1-3H3;17-20,25H,4-16H2,1-3H3;15-18H,5-13H2,1-4H3;12-15H,5-11H2,1-4H3;8*1H4
• InChIKey: UXHGYKMXUYSRSG-UHFFFAOYSA-N
• XLogP: 23.65
• TPSA: 207.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 30
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1542.39
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane?

The IUPAC name of (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane (CID 161219300) is (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane.

What is the SMILES notation for (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane?

The canonical SMILES for (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane is C.C.C.C.C.C.C.C.CCC1CC(C(CC(=O)OC2(CC)CCCC2)OC(C)=O)C(CC)O1.CCC1CC(C(CC(=O)OC2(CC)CCCC2)OC2CCCCO2)C(CC)O1.CCC1CC(CC(C)(O)CC(=O)OC2(C3CCCC3)CCCC2)C(CC)O1.CCC1OC(CC)C(C(=O)OC2(CC)CCCC2)C1C.

What is the InChIKey of (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane?

The InChIKey is UXHGYKMXUYSRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40O5.C23H40O4.C20H34O5.C17H30O3.8CH4/c1-4-17-15-18(19(5-2)26-17)20(27-22-11-7-10-14-25-22)16-21(24)28-23(6-3)12-8-9-13-23;1-4-19-14-17(20(5-2)26-19)15-22(3,25)16-21(24)27-23(12-8-9-13-23)18-10-6-7-11-18;1-5-15-12-16(17(6-2)24-15)18(23-14(4)21)13-19(22)25-20(7-3)10-8-9-11-20;1-5-13-12(4)15(14(6-2)19-13)16(18)20-17(7-3)10-8-9-11-17;;;;;;;;/h17-20,22H,4-16H2,1-3H3;17-20,25H,4-16H2,1-3H3;15-18H,5-13H2,1-4H3;12-15H,5-11H2,1-4H3;8*1H4.

What are the key properties of (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane?

(1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane has a molecular weight of 1542.39 g/mol, XLogP of 23.65, 30 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (1-cyclopentylcyclopentyl) 4-(2,5-diethyloxolan-3-yl)-3-hydroxy-3-methylbutanoate;(1-ethylcyclopentyl) 3-acetyloxy-3-(2,5-diethyloxolan-3-yl)propanoate;(1-ethylcyclopentyl) 2,5-diethyl-4-methyloxolane-3-carboxylate;(1-ethylcyclopentyl) 3-(2,5-diethyloxolan-3-yl)-3-(oxan-2-yloxy)propanoate;methane is sourced from PubChem (CID 161219300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).