(1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate

C136H232O22 — CID 159813805

About (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate

(1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate (PubChem CID 159813805) has the molecular formula C136H232O22 and a molecular weight of 2219.33 g/mol. Its IUPAC name is (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate
• PubChem CID: 159813805
• Molecular Formula: C136H232O22
• Molecular Weight: 2219.33 g/mol
• Exact Mass: 2217.70
• IUPAC Name: (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate
• SMILES: C=C(C)C1(OC(=O)C(C)(C)CC)CCCC1.C=C(C)C1(OC(=O)C(C)(C)CC)CCCCC1.C=CC1(OC(=O)C(C)(C)CC)CCCC1.C=CC1(OC(=O)C(C)(C)CC)CCCCC1.C=CC1(OC(=O)C(C)(C)CC)CCCCCC1.C=CC1(OC(=O)C(C)(C)CC)CCCCCCC1.CCOCC(C)(C)C1(OC(=O)CCOC(=O)C(C)(C)CC)C2CC3CC(C2)CC1C3.CCOCC(C)(C)C1(OC(=O)COC(=O)C(C)(C)CC)C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C25H42O5.C24H40O5.C16H28O2.2C15H26O2.2C14H24O2.C13H22O2/c1-7-23(3,4)22(27)29-10-9-21(26)30-25(24(5,6)16-28-8-2)19-12-17-11-18(14-19)15-20(25)13-17;1-7-22(3,4)21(26)28-14-20(25)29-24(23(5,6)15-27-8-2)18-10-16-9-17(12-18)13-19(24)11-16;1-5-15(3,4)14(17)18-16(6-2)12-10-8-7-9-11-13-16;1-6-14(4,5)13(16)17-15(12(2)3)10-8-7-9-11-15;1-5-14(3,4)13(16)17-15(6-2)11-9-7-8-10-12-15;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13/h17-20H,7-16H2,1-6H3;16-19H,7-15H2,1-6H3;6H,2,5,7-13H2,1,3-4H3;2,6-11H2,1,3-5H3;6H,2,5,7-12H2,1,3-4H3;2,6-10H2,1,3-5H3;6H,2,5,7-11H2,1,3-4H3;6H,2,5,7-10H2,1,3-4H3
• InChIKey: NLJAXZXQVHMKIZ-UHFFFAOYSA-N
• XLogP: 34.22
• TPSA: 281.46 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 43
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2219.33
LogP ≤ 5	34.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The IUPAC name of (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate (CID 159813805) is (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate.

What is the SMILES notation for (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The canonical SMILES for (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate is C=C(C)C1(OC(=O)C(C)(C)CC)CCCC1.C=C(C)C1(OC(=O)C(C)(C)CC)CCCCC1.C=CC1(OC(=O)C(C)(C)CC)CCCC1.C=CC1(OC(=O)C(C)(C)CC)CCCCC1.C=CC1(OC(=O)C(C)(C)CC)CCCCCC1.C=CC1(OC(=O)C(C)(C)CC)CCCCCCC1.CCOCC(C)(C)C1(OC(=O)CCOC(=O)C(C)(C)CC)C2CC3CC(C2)CC1C3.CCOCC(C)(C)C1(OC(=O)COC(=O)C(C)(C)CC)C2CC3CC(C2)CC1C3.

What is the InChIKey of (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The InChIKey is NLJAXZXQVHMKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O5.C24H40O5.C16H28O2.2C15H26O2.2C14H24O2.C13H22O2/c1-7-23(3,4)22(27)29-10-9-21(26)30-25(24(5,6)16-28-8-2)19-12-17-11-18(14-19)15-20(25)13-17;1-7-22(3,4)21(26)28-14-20(25)29-24(23(5,6)15-27-8-2)18-10-16-9-17(12-18)13-19(24)11-16;1-5-15(3,4)14(17)18-16(6-2)12-10-8-7-9-11-13-16;1-6-14(4,5)13(16)17-15(12(2)3)10-8-7-9-11-15;1-5-14(3,4)13(16)17-15(6-2)11-9-7-8-10-12-15;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-5-13(3,4)12(15)16-14(6-2)10-8-7-9-11-14;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13/h17-20H,7-16H2,1-6H3;16-19H,7-15H2,1-6H3;6H,2,5,7-13H2,1,3-4H3;2,6-11H2,1,3-5H3;6H,2,5,7-12H2,1,3-4H3;2,6-10H2,1,3-5H3;6H,2,5,7-11H2,1,3-4H3;6H,2,5,7-10H2,1,3-4H3.

What are the key properties of (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate?

(1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate has a molecular weight of 2219.33 g/mol, XLogP of 34.22, 43 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (1-ethenylcycloheptyl) 2,2-dimethylbutanoate;(1-ethenylcyclohexyl) 2,2-dimethylbutanoate;(1-ethenylcyclooctyl) 2,2-dimethylbutanoate;(1-ethenylcyclopentyl) 2,2-dimethylbutanoate;[2-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-dimethylbutanoate;[3-[[2-(1-ethoxy-2-methylpropan-2-yl)-2-adamantyl]oxy]-3-oxopropyl] 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclohexyl) 2,2-dimethylbutanoate;(1-prop-1-en-2-ylcyclopentyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 159813805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).