4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)

C112H188O30 — CID 162074848

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) (PubChem CID 162074848) has the molecular formula C112H188O30 and a molecular weight of 2014.71 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate).

Molecular Properties

• Compound Name: 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)
• PubChem CID: 162074848
• Molecular Formula: C112H188O30
• Molecular Weight: 2014.71 g/mol
• Exact Mass: 2013.32
• IUPAC Name: 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)
• SMILES: CC1(C)OCC(C2COC(C)(C)O2)O1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CC2CC1C1COC(=O)C21.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCC(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CCOC(=O)C(C)(C)CC
• InChI: InChI=1S/C19H30O5.C16H26O3.C15H22O4.2C12H22O2.C10H18O4.2C10H16O4.C8H16O2/c1-4-17(2,3)16(21)23-10-15(20)24-12-18-6-13-5-14(7-18)9-19(22,8-13)11-18;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-15(2,3)14(17)19-11-6-8-5-9(11)10-7-18-13(16)12(8)10;2*1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-9(2)11-5-7(13-9)8-6-12-10(3,4)14-8;2*1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-5-8(3,4)7(9)10-6-2/h13-14,22H,4-12H2,1-3H3;11-12,18H,4-10H2,1-3H3;8-12H,4-7H2,1-3H3;2*5-9H2,1-4H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;5-6H2,1-4H3
• InChIKey: ZBONKGZQEIIYPK-UHFFFAOYSA-N
• XLogP: 20.49
• TPSA: 392.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2014.71
LogP ≤ 5	20.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) (CID 162074848) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate).

What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) is CC1(C)OCC(C2COC(C)(C)O2)O1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)(C)C(=O)OC1CC2CC1C1COC(=O)C21.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OC1CCOC1=O.CCC(C)(C)C(=O)OCC(=O)OCC12CC3CC(CC(O)(C3)C1)C2.CCOC(=O)C(C)(C)CC.

What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

The InChIKey is ZBONKGZQEIIYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O5.C16H26O3.C15H22O4.2C12H22O2.C10H18O4.2C10H16O4.C8H16O2/c1-4-17(2,3)16(21)23-10-15(20)24-12-18-6-13-5-14(7-18)9-19(22,8-13)11-18;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-4-15(2,3)14(17)19-11-6-8-5-9(11)10-7-18-13(16)12(8)10;2*1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-9(2)11-5-7(13-9)8-6-12-10(3,4)14-8;2*1-4-10(2,3)9(12)14-7-5-6-13-8(7)11;1-5-8(3,4)7(9)10-6-2/h13-14,22H,4-12H2,1-3H3;11-12,18H,4-10H2,1-3H3;8-12H,4-7H2,1-3H3;2*5-9H2,1-4H3;7-8H,5-6H2,1-4H3;2*7H,4-6H2,1-3H3;5-6H2,1-4H3.

What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate)?

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) has a molecular weight of 2014.71 g/mol, XLogP of 20.49, 28 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane;ethyl 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;[2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethyl] 2,2-dimethylbutanoate;bis((1-methylcyclopentyl) 2,2-dimethylbutanoate);(3-oxo-4-oxatricyclo[5.2.1.02,6]decan-8-yl) 2,2-dimethylbutanoate;bis((2-oxooxolan-3-yl) 2,2-dimethylbutanoate) is sourced from PubChem (CID 162074848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).