bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate

C92H184O18 — CID 158165158

About bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate

bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate (PubChem CID 158165158) has the molecular formula C92H184O18 and a molecular weight of 1578.47 g/mol. Its IUPAC name is bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate
• PubChem CID: 158165158
• Molecular Formula: C92H184O18
• Molecular Weight: 1578.47 g/mol
• Exact Mass: 1577.35
• IUPAC Name: bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCC1(OC(=O)C(C)(C)CC)CCCC1
• InChI: InChI=1S/2C16H26O3.2C13H24O2.C12H20O4.C10H16O4.12CH4/c2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;2*1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-5-11(2,3)10(14)16-12(4)6-7-15-9(13)8-12;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7;;;;;;;;;;;;/h2*11-12,18H,4-10H2,1-3H3;2*5-10H2,1-4H3;5-8H2,1-4H3;7H,4-6H2,1-3H3;12*1H4
• InChIKey: FWTDCUJMLBUUKO-UHFFFAOYSA-N
• XLogP: 24.45
• TPSA: 250.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1578.47
LogP ≤ 5	24.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The IUPAC name of bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate (CID 158165158) is bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate.

What is the SMILES notation for bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The canonical SMILES for bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1(C)CCOC(=O)C1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1COC(=O)C1.CCC1(OC(=O)C(C)(C)CC)CCCC1.CCC1(OC(=O)C(C)(C)CC)CCCC1.

What is the InChIKey of bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The InChIKey is FWTDCUJMLBUUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H26O3.2C13H24O2.C12H20O4.C10H16O4.12CH4/c2*1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;2*1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-5-11(2,3)10(14)16-12(4)6-7-15-9(13)8-12;1-4-10(2,3)9(12)14-7-5-8(11)13-6-7;;;;;;;;;;;;/h2*11-12,18H,4-10H2,1-3H3;2*5-10H2,1-4H3;5-8H2,1-4H3;7H,4-6H2,1-3H3;12*1H4.

What are the key properties of bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate?

bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 1578.47 g/mol, XLogP of 24.45, 20 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis((1-ethylcyclopentyl) 2,2-dimethylbutanoate);bis((3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate);methane;(4-methyl-2-oxooxan-4-yl) 2,2-dimethylbutanoate;(5-oxooxolan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 158165158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).