(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

C158H264O22 — CID 161349576

About (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate

(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (PubChem CID 161349576) has the molecular formula C158H264O22 and a molecular weight of 2515.83 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.

Molecular Properties

• Compound Name: (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
• PubChem CID: 161349576
• Molecular Formula: C158H264O22
• Molecular Weight: 2515.83 g/mol
• Exact Mass: 2513.95
• IUPAC Name: (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
• SMILES: CCC(C)C(=O)OC(C)(C)C1CC2CCC1O2.CCC(C)C(=O)OC(CC)(CC)C1CC2CCC1O2.CCC(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)C(=O)OC1(C)CC2CC1C1CCC21.CCC(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)C(=O)OC1(CC)CC2CC1C1CCC21.CCC(C)C(=O)OC1(CC)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(CC)CC2CCC1C2
• InChI: InChI=1S/C19H30O2.C18H28O2.C17H30O2.C16H28O3.C16H26O2.C16H28O2.C15H24O2.C14H24O3.C14H24O2.C13H22O2/c1-4-11(3)18(20)21-19(5-2)10-14-9-15(19)17-13-7-6-12(8-13)16(14)17;1-4-10(2)17(19)20-18(3)9-13-8-14(18)16-12-6-5-11(7-12)15(13)16;1-7-12(3)14(18)19-17(8-2)11-13-9-10-16(17,6)15(13,4)5;1-5-11(4)15(17)19-16(6-2,7-3)13-10-12-8-9-14(13)18-12;1-4-10(3)15(17)18-16(5-2)9-11-8-14(16)13-7-6-12(11)13;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-4-9(2)14(16)17-15(3)8-10-7-13(15)12-6-5-11(10)12;1-5-9(2)13(15)17-14(3,4)11-8-10-6-7-12(11)16-10;1-4-10(3)13(15)16-14(5-2)9-11-6-7-12(14)8-11;1-4-9(2)12(14)15-13(3)8-10-5-6-11(13)7-10/h11-17H,4-10H2,1-3H3;10-16H,4-9H2,1-3H3;12-13H,7-11H2,1-6H3;11-14H,5-10H2,1-4H3;10-14H,4-9H2,1-3H3;11-12H,7-10H2,1-6H3;9-13H,4-8H2,1-3H3;9-12H,5-8H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3
• InChIKey: VNTIRUKULMBSHF-UHFFFAOYSA-N
• XLogP: 37.73
• TPSA: 281.46 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 38
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2515.83
LogP ≤ 5	37.73
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': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

The IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (CID 161349576) is (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate.

What is the SMILES notation for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

The canonical SMILES for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is CCC(C)C(=O)OC(C)(C)C1CC2CCC1O2.CCC(C)C(=O)OC(CC)(CC)C1CC2CCC1O2.CCC(C)C(=O)OC1(C)CC2CC1C1C3CCC(C3)C21.CCC(C)C(=O)OC1(C)CC2CC1C1CCC21.CCC(C)C(=O)OC1(C)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(C)CC2CCC1C2.CCC(C)C(=O)OC1(CC)CC2CC1C1C3CCC(C3)C21.CCC(C)C(=O)OC1(CC)CC2CC1C1CCC21.CCC(C)C(=O)OC1(CC)CC2CCC1(C)C2(C)C.CCC(C)C(=O)OC1(CC)CC2CCC1C2.

What is the InChIKey of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

The InChIKey is VNTIRUKULMBSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2.C18H28O2.C17H30O2.C16H28O3.C16H26O2.C16H28O2.C15H24O2.C14H24O3.C14H24O2.C13H22O2/c1-4-11(3)18(20)21-19(5-2)10-14-9-15(19)17-13-7-6-12(8-13)16(14)17;1-4-10(2)17(19)20-18(3)9-13-8-14(18)16-12-6-5-11(7-12)15(13)16;1-7-12(3)14(18)19-17(8-2)11-13-9-10-16(17,6)15(13,4)5;1-5-11(4)15(17)19-16(6-2,7-3)13-10-12-8-9-14(13)18-12;1-4-10(3)15(17)18-16(5-2)9-11-8-14(16)13-7-6-12(11)13;1-7-11(2)13(17)18-16(6)10-12-8-9-15(16,5)14(12,3)4;1-4-9(2)14(16)17-15(3)8-10-7-13(15)12-6-5-11(10)12;1-5-9(2)13(15)17-14(3,4)11-8-10-6-7-12(11)16-10;1-4-10(3)13(15)16-14(5-2)9-11-6-7-12(14)8-11;1-4-9(2)12(14)15-13(3)8-10-5-6-11(13)7-10/h11-17H,4-10H2,1-3H3;10-16H,4-9H2,1-3H3;12-13H,7-11H2,1-6H3;11-14H,5-10H2,1-4H3;10-14H,4-9H2,1-3H3;11-12H,7-10H2,1-6H3;9-13H,4-8H2,1-3H3;9-12H,5-8H2,1-4H3;10-12H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3.

What are the key properties of (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate?

(2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate has a molecular weight of 2515.83 g/mol, XLogP of 37.73, 38 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2-ethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-ethyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;(2-ethyl-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(2-methyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate;(4-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylbutanoate;(7-methyl-7-tricyclo[4.2.1.02,5]nonanyl) 2-methylbutanoate;3-(7-oxabicyclo[2.2.1]heptan-2-yl)pentan-3-yl 2-methylbutanoate;2-(7-oxabicyclo[2.2.1]heptan-2-yl)propan-2-yl 2-methylbutanoate;(1,2,7,7-tetramethyl-2-bicyclo[2.2.1]heptanyl) 2-methylbutanoate is sourced from PubChem (CID 161349576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).