(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate

C65H110O11 — CID 161311048

About (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate

(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate (PubChem CID 161311048) has the molecular formula C65H110O11 and a molecular weight of 1067.58 g/mol. Its IUPAC name is (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
• PubChem CID: 161311048
• Molecular Formula: C65H110O11
• Molecular Weight: 1067.58 g/mol
• Exact Mass: 1066.80
• IUPAC Name: (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)C(C)OC(=O)C1C.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2
• InChI: InChI=1S/C21H34O2.C16H26O3.C15H28O2.C13H22O4/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;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;1-7-12(4,5)11(15)17-13(6)8(2)10(14)16-9(13)3/h12-18H,6-11H2,1-5H3;11-12,18H,4-10H2,1-3H3;7-11H2,1-6H3;8-9H,7H2,1-6H3
• InChIKey: VIWVKYFLCVPSLJ-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 151.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1067.58
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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 (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The IUPAC name of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate (CID 161311048) is (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate.

What is the SMILES notation for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The canonical SMILES for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CC2CC1C1C3CCC(C3)C21.CCC(C)(C)C(=O)OC1(C)C(C)OC(=O)C1C.CCC(C)(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.

What is the InChIKey of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate?

The InChIKey is VIWVKYFLCVPSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34O2.C16H26O3.C15H28O2.C13H22O4/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;1-4-14(2,3)13(17)19-16-8-11-5-12(9-16)7-15(18,6-11)10-16;1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;1-7-12(4,5)11(15)17-13(6)8(2)10(14)16-9(13)3/h12-18H,6-11H2,1-5H3;11-12,18H,4-10H2,1-3H3;7-11H2,1-6H3;8-9H,7H2,1-6H3.

What are the key properties of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate?

(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate has a molecular weight of 1067.58 g/mol, XLogP of 14.74, 13 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;(3-hydroxy-1-adamantyl) 2,2-dimethylbutanoate;(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2,2-dimethylbutanoate;(2,3,4-trimethyl-5-oxooxolan-3-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 161311048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).