2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate

C91H144O16 — CID 157107832

About 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate

2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate (PubChem CID 157107832) has the molecular formula C91H144O16 and a molecular weight of 1494.14 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate.

Molecular Properties

• Compound Name: 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate
• PubChem CID: 157107832
• Molecular Formula: C91H144O16
• Molecular Weight: 1494.14 g/mol
• Exact Mass: 1493.05
• IUPAC Name: 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate
• SMILES: C=CC(=O)OC1CC(C)CC(C)(C)C1.C=CC(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OC1CC2CCC1C2.C=CC(=O)OC1CC2CCC1C2(C)C.C=CC(=O)OC1CCC(C(C)(C)C)CC1.C=CC(=O)OC1CCC(C(C)C)CC1.C=CC(=O)OC1CCC(C)CC1.C=CC(=O)OC1CCCCC1
• InChI: InChI=1S/C13H20O2.C13H22O2.C12H18O2.2C12H20O2.C10H14O2.C10H16O2.C9H14O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4;1-4-11(13)14-10-7-8-5-6-9(10)12(8,2)3;1-5-11(13)14-10-6-9(2)7-12(3,4)8-10;1-4-12(13)14-11-7-5-10(6-8-11)9(2)3;1-2-10(11)12-9-6-7-3-4-8(9)5-7;1-3-10(11)12-9-6-4-8(2)5-7-9;1-2-9(10)11-8-6-4-3-5-7-8/h5,9-10H,1,6-8H2,2-4H3;5,10-11H,1,6-9H2,2-4H3;4,8-10H,1,5-7H2,2-3H3;5,9-10H,1,6-8H2,2-4H3;4,9-11H,1,5-8H2,2-3H3;2,7-9H,1,3-6H2;3,8-9H,1,4-7H2,2H3;2,8H,1,3-7H2
• InChIKey: AGMSQRDOTXEKHE-UHFFFAOYSA-N
• XLogP: 20.90
• TPSA: 210.40 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1494.14
LogP ≤ 5	20.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate?

The IUPAC name of 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate (CID 157107832) is 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate.

What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate?

The canonical SMILES for 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate is C=CC(=O)OC1CC(C)CC(C)(C)C1.C=CC(=O)OC1CC2CCC1(C)C2(C)C.C=CC(=O)OC1CC2CCC1C2.C=CC(=O)OC1CC2CCC1C2(C)C.C=CC(=O)OC1CCC(C(C)(C)C)CC1.C=CC(=O)OC1CCC(C(C)C)CC1.C=CC(=O)OC1CCC(C)CC1.C=CC(=O)OC1CCCCC1.

What is the InChIKey of 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate?

The InChIKey is AGMSQRDOTXEKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C13H22O2.C12H18O2.2C12H20O2.C10H14O2.C10H16O2.C9H14O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3;1-5-12(14)15-11-8-6-10(7-9-11)13(2,3)4;1-4-11(13)14-10-7-8-5-6-9(10)12(8,2)3;1-5-11(13)14-10-6-9(2)7-12(3,4)8-10;1-4-12(13)14-11-7-5-10(6-8-11)9(2)3;1-2-10(11)12-9-6-7-3-4-8(9)5-7;1-3-10(11)12-9-6-4-8(2)5-7-9;1-2-9(10)11-8-6-4-3-5-7-8/h5,9-10H,1,6-8H2,2-4H3;5,10-11H,1,6-9H2,2-4H3;4,8-10H,1,5-7H2,2-3H3;5,9-10H,1,6-8H2,2-4H3;4,9-11H,1,5-8H2,2-3H3;2,7-9H,1,3-6H2;3,8-9H,1,4-7H2,2H3;2,8H,1,3-7H2.

What are the key properties of 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate?

2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate has a molecular weight of 1494.14 g/mol, XLogP of 20.90, 17 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bicyclo[2.2.1]heptanyl prop-2-enoate;(4-tert-butylcyclohexyl) prop-2-enoate;cyclohexyl prop-2-enoate;(7,7-dimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(4-methylcyclohexyl) prop-2-enoate;(4-propan-2-ylcyclohexyl) prop-2-enoate;(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) prop-2-enoate;(3,3,5-trimethylcyclohexyl) prop-2-enoate is sourced from PubChem (CID 157107832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).