[2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate

C95H158O24 — CID 159355201

About [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate

[2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate (PubChem CID 159355201) has the molecular formula C95H158O24 and a molecular weight of 1684.28 g/mol. Its IUPAC name is [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate
• PubChem CID: 159355201
• Molecular Formula: C95H158O24
• Molecular Weight: 1684.28 g/mol
• Exact Mass: 1683.11
• IUPAC Name: [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OCC1COC(C(C)(C)C)O1.CCC(C)(C)C(=O)OCC1COC(C)(C)O1.CCC(C)(C)C(=O)OCC1COC(C23CC4CC(CC(C4)C2)C3)O1.CCC(C)(C)C(=O)OCC1COC(C2CC3CCC2C3)O1.CCC(C)(C)C(=O)OCC1COC(C2CCCCC2)O1.CCC(C)(C)C(=O)OCC1COC(c2ccccc2)O1
• InChI: InChI=1S/C20H32O4.C17H28O4.C16H28O4.C16H22O4.C14H26O4.C12H22O4/c1-4-19(2,3)17(21)22-11-16-12-23-18(24-16)20-8-13-5-14(9-20)7-15(6-13)10-20;1-4-17(2,3)16(18)20-10-13-9-19-15(21-13)14-8-11-5-6-12(14)7-11;2*1-4-16(2,3)15(17)19-11-13-10-18-14(20-13)12-8-6-5-7-9-12;1-7-14(5,6)11(15)16-8-10-9-17-12(18-10)13(2,3)4;1-6-11(2,3)10(13)14-7-9-8-15-12(4,5)16-9/h13-16,18H,4-12H2,1-3H3;11-15H,4-10H2,1-3H3;12-14H,4-11H2,1-3H3;5-9,13-14H,4,10-11H2,1-3H3;10,12H,7-9H2,1-6H3;9H,6-8H2,1-5H3
• InChIKey: LHVJUJDQZWQPDS-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 268.56 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.28
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate?

The IUPAC name of [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate (CID 159355201) is [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate.

What is the SMILES notation for [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate?

The canonical SMILES for [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCC1COC(C(C)(C)C)O1.CCC(C)(C)C(=O)OCC1COC(C)(C)O1.CCC(C)(C)C(=O)OCC1COC(C23CC4CC(CC(C4)C2)C3)O1.CCC(C)(C)C(=O)OCC1COC(C2CC3CCC2C3)O1.CCC(C)(C)C(=O)OCC1COC(C2CCCCC2)O1.CCC(C)(C)C(=O)OCC1COC(c2ccccc2)O1.

What is the InChIKey of [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate?

The InChIKey is LHVJUJDQZWQPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O4.C17H28O4.C16H28O4.C16H22O4.C14H26O4.C12H22O4/c1-4-19(2,3)17(21)22-11-16-12-23-18(24-16)20-8-13-5-14(9-20)7-15(6-13)10-20;1-4-17(2,3)16(18)20-10-13-9-19-15(21-13)14-8-11-5-6-12(14)7-11;2*1-4-16(2,3)15(17)19-11-13-10-18-14(20-13)12-8-6-5-7-9-12;1-7-14(5,6)11(15)16-8-10-9-17-12(18-10)13(2,3)4;1-6-11(2,3)10(13)14-7-9-8-15-12(4,5)16-9/h13-16,18H,4-12H2,1-3H3;11-15H,4-10H2,1-3H3;12-14H,4-11H2,1-3H3;5-9,13-14H,4,10-11H2,1-3H3;10,12H,7-9H2,1-6H3;9H,6-8H2,1-5H3.

What are the key properties of [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate?

[2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate has a molecular weight of 1684.28 g/mol, XLogP of 18.31, 28 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(1-adamantyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;[2-(2-bicyclo[2.2.1]heptanyl)-1,3-dioxolan-4-yl]methyl 2,2-dimethylbutanoate;(2-tert-butyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-cyclohexyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate;(2-phenyl-1,3-dioxolan-4-yl)methyl 2,2-dimethylbutanoate is sourced from PubChem (CID 159355201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).