3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate

C83H130O13S — CID 160650551

About 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate

3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate (PubChem CID 160650551) has the molecular formula C83H130O13S and a molecular weight of 1368.01 g/mol. Its IUPAC name is 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
• PubChem CID: 160650551
• Molecular Formula: C83H130O13S
• Molecular Weight: 1368.01 g/mol
• Exact Mass: 1366.92
• IUPAC Name: 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1CSCCO1
• InChI: InChI=1S/C19H30O2.C17H26O2.C16H24O2.C12H20O2.C11H18O2.C8H12O3S/c1-5-19(6-2,21-17(20)13(3)4)18-10-14-7-15(11-18)9-16(8-14)12-18;1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-6(2)8(9)11-7-5-12-4-3-10-7/h14-16H,3,5-12H2,1-2,4H3;11-15H,1,5-9H2,2-4H3;11-14H,2,4-9H2,1,3H3;2,4-9H2,1,3H3;2,4-8H2,1,3H3;7H,1,3-5H2,2H3
• InChIKey: RKIZOGQPQCTQRN-UHFFFAOYSA-N
• XLogP: 19.79
• TPSA: 167.03 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1368.01
LogP ≤ 5	19.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate?

The IUPAC name of 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate (CID 160650551) is 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate.

What is the SMILES notation for 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate?

The canonical SMILES for 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC)(CC)C12CC3CC(CC(C3)C1)C2.C=C(C)C(=O)OC1(C(C)C)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)C2CC3CC(C2)CC1C3.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1CSCCO1.

What is the InChIKey of 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate?

The InChIKey is RKIZOGQPQCTQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2.C17H26O2.C16H24O2.C12H20O2.C11H18O2.C8H12O3S/c1-5-19(6-2,21-17(20)13(3)4)18-10-14-7-15(11-18)9-16(8-14)12-18;1-10(2)16(18)19-17(11(3)4)14-6-12-5-13(8-14)9-15(17)7-12;1-4-16(18-15(17)10(2)3)13-6-11-5-12(8-13)9-14(16)7-11;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-6(2)8(9)11-7-5-12-4-3-10-7/h14-16H,3,5-12H2,1-2,4H3;11-15H,1,5-9H2,2-4H3;11-14H,2,4-9H2,1,3H3;2,4-9H2,1,3H3;2,4-8H2,1,3H3;7H,1,3-5H2,2H3.

What are the key properties of 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate?

3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate has a molecular weight of 1368.01 g/mol, XLogP of 19.79, 19 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-adamantyl)pentan-3-yl 2-methylprop-2-enoate;(2-ethyl-2-adamantyl) 2-methylprop-2-enoate;(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;1,4-oxathian-2-yl 2-methylprop-2-enoate;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate is sourced from PubChem (CID 160650551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).