(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane

C76H122F6O10 — CID 159367891

About (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane

(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane (PubChem CID 159367891) has the molecular formula C76H122F6O10 and a molecular weight of 1309.79 g/mol. Its IUPAC name is (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane.

Molecular Properties

• Compound Name: (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane
• PubChem CID: 159367891
• Molecular Formula: C76H122F6O10
• Molecular Weight: 1309.79 g/mol
• Exact Mass: 1308.89
• IUPAC Name: (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane
• SMILES: C.C.C=C(C(=O)OC1(CCCC)C2CC3CC(C2)CC1C3)C(F)(F)F.C=C(C(=O)OC1(CCCC)CCCC1)C(F)(F)F.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCCCC1.C=C(C)C(=O)OC1(CCCC)C2CC3CC(C2)CC1C3
• InChI: InChI=1S/C18H25F3O2.C18H28O2.C14H24O2.C13H19F3O2.C11H18O2.2CH4/c1-3-4-5-17(23-16(22)11(2)18(19,20)21)14-7-12-6-13(9-14)10-15(17)8-12;1-4-5-6-18(20-17(19)12(2)3)15-8-13-7-14(10-15)11-16(18)9-13;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-3-4-7-12(8-5-6-9-12)18-11(17)10(2)13(14,15)16;1-4-11(7-5-6-8-11)13-10(12)9(2)3;;/h12-15H,2-10H2,1H3;13-16H,2,4-11H2,1,3H3;2,4-11H2,1,3H3;2-9H2,1H3;2,4-8H2,1,3H3;2*1H4
• InChIKey: LJJAZECAULAULW-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 131.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1309.79
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane?

The IUPAC name of (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane (CID 159367891) is (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane.

What is the SMILES notation for (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane?

The canonical SMILES for (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane is C.C.C=C(C(=O)OC1(CCCC)C2CC3CC(C2)CC1C3)C(F)(F)F.C=C(C(=O)OC1(CCCC)CCCC1)C(F)(F)F.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCCCC1.C=C(C)C(=O)OC1(CCCC)C2CC3CC(C2)CC1C3.

What is the InChIKey of (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane?

The InChIKey is LJJAZECAULAULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3O2.C18H28O2.C14H24O2.C13H19F3O2.C11H18O2.2CH4/c1-3-4-5-17(23-16(22)11(2)18(19,20)21)14-7-12-6-13(9-14)10-15(17)8-12;1-4-5-6-18(20-17(19)12(2)3)15-8-13-7-14(10-15)11-16(18)9-13;1-4-14(16-13(15)12(2)3)10-8-6-5-7-9-11-14;1-3-4-7-12(8-5-6-9-12)18-11(17)10(2)13(14,15)16;1-4-11(7-5-6-8-11)13-10(12)9(2)3;;/h12-15H,2-10H2,1H3;13-16H,2,4-11H2,1,3H3;2,4-11H2,1,3H3;2-9H2,1H3;2,4-8H2,1,3H3;2*1H4.

What are the key properties of (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane?

(2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane has a molecular weight of 1309.79 g/mol, XLogP of 21.77, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2-butyl-2-adamantyl) 2-methylprop-2-enoate;(2-butyl-2-adamantyl) 2-(trifluoromethyl)prop-2-enoate;(1-butylcyclopentyl) 2-(trifluoromethyl)prop-2-enoate;(1-ethylcyclooctyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;methane is sourced from PubChem (CID 159367891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).