(2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate

C104H182O12 — CID 161265344

About (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate

(2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate (PubChem CID 161265344) has the molecular formula C104H182O12 and a molecular weight of 1624.59 g/mol. Its IUPAC name is (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate
• PubChem CID: 161265344
• Molecular Formula: C104H182O12
• Molecular Weight: 1624.59 g/mol
• Exact Mass: 1623.36
• IUPAC Name: (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C(C)C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C(C)C)CC2CCC1C2.CCC(C)(C)C(=O)OC1(C(C)C)CCC2CCCCC2C1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCCC1
• InChI: InChI=1S/C21H34O2.C19H32O2.C19H34O2.C16H28O2.C15H28O2.C14H26O2/c1-6-20(4,5)19(22)23-21(12(2)3)11-15-10-16(21)18-14-8-7-13(9-14)17(15)18;1-6-18(4,5)17(20)21-19(12(2)3)15-8-13-7-14(10-15)11-16(19)9-13;1-6-18(4,5)17(20)21-19(14(2)3)12-11-15-9-7-8-10-16(15)13-19;1-6-15(4,5)14(17)18-16(11(2)3)10-12-7-8-13(16)9-12;1-6-14(4,5)13(16)17-15(12(2)3)10-8-7-9-11-15;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14/h12-18H,6-11H2,1-5H3;12-16H,6-11H2,1-5H3;14-16H,6-13H2,1-5H3;11-13H,6-10H2,1-5H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3
• InChIKey: VDCKAYLXSPVKAT-UHFFFAOYSA-N
• XLogP: 27.67
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1624.59
LogP ≤ 5	27.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate?

The IUPAC name of (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate (CID 161265344) is (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate.

What is the SMILES notation for (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate?

The canonical SMILES for (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.CCC(C)(C)C(=O)OC1(C(C)C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C(C)C)CC2CCC1C2.CCC(C)(C)C(=O)OC1(C(C)C)CCC2CCCCC2C1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCCC1.

What is the InChIKey of (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate?

The InChIKey is VDCKAYLXSPVKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2.C19H32O2.C19H34O2.C16H28O2.C15H28O2.C14H26O2/c1-6-20(4,5)19(22)23-21(12(2)3)11-15-10-16(21)18-14-8-7-13(9-14)17(15)18;1-6-18(4,5)17(20)21-19(12(2)3)15-8-13-7-14(10-15)11-16(19)9-13;1-6-18(4,5)17(20)21-19(14(2)3)12-11-15-9-7-8-10-16(15)13-19;1-6-15(4,5)14(17)18-16(11(2)3)10-12-7-8-13(16)9-12;1-6-14(4,5)13(16)17-15(12(2)3)10-8-7-9-11-15;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14/h12-18H,6-11H2,1-5H3;12-16H,6-11H2,1-5H3;14-16H,6-13H2,1-5H3;11-13H,6-10H2,1-5H3;12H,6-11H2,1-5H3;11H,6-10H2,1-5H3.

What are the key properties of (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate?

(2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate has a molecular weight of 1624.59 g/mol, XLogP of 27.67, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-adamantyl) 2,2-dimethylbutanoate;(2-propan-2-yl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 161265344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).