2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate

C95H162O26 — CID 163477944

About 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate

2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate (PubChem CID 163477944) has the molecular formula C95H162O26 and a molecular weight of 1720.31 g/mol. Its IUPAC name is 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate.

Molecular Properties

• Compound Name: 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate
• PubChem CID: 163477944
• Molecular Formula: C95H162O26
• Molecular Weight: 1720.31 g/mol
• Exact Mass: 1719.14
• IUPAC Name: 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate
• SMILES: C=C(COCOC)C(=O)OCOC1C2CC3CC(C2)CC1C3.C=C(COCOC)C(=O)OCOC1CC2CCC1C2.C=C(COCOCC(C)(C)C)C(=O)OC(C)(C)C.C=C(COCOCC(C)(C)C)C(=O)OC1(C)CCCC1.C=C(COCOCC(C)(C)C)C(=O)OC1(C)CCCCC1.C=C(COCOCC(C)(C)C)C(=O)OC1(CC)CCCC1
• InChI: InChI=1S/C17H26O5.2C17H30O4.C16H28O4.C14H22O5.C14H26O4/c1-11(8-20-9-19-2)17(18)22-10-21-16-14-4-12-3-13(6-14)7-15(16)5-12;1-14(11-19-13-20-12-16(2,3)4)15(18)21-17(5)9-7-6-8-10-17;1-6-17(9-7-8-10-17)21-15(18)14(2)11-19-13-20-12-16(3,4)5;1-13(10-18-12-19-11-15(2,3)4)14(17)20-16(5)8-6-7-9-16;1-10(7-17-8-16-2)14(15)19-9-18-13-6-11-3-4-12(13)5-11;1-11(12(15)18-14(5,6)7)8-16-10-17-9-13(2,3)4/h12-16H,1,3-10H2,2H3;1,6-13H2,2-5H3;2,6-13H2,1,3-5H3;1,6-12H2,2-5H3;11-13H,1,3-9H2,2H3;1,8-10H2,2-7H3
• InChIKey: CCBHFERMXVJVIR-UHFFFAOYSA-N
• XLogP: 18.44
• TPSA: 287.02 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 44
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1720.31
LogP ≤ 5	18.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate?

The IUPAC name of 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate (CID 163477944) is 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate.

What is the SMILES notation for 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate?

The canonical SMILES for 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate is C=C(COCOC)C(=O)OCOC1C2CC3CC(C2)CC1C3.C=C(COCOC)C(=O)OCOC1CC2CCC1C2.C=C(COCOCC(C)(C)C)C(=O)OC(C)(C)C.C=C(COCOCC(C)(C)C)C(=O)OC1(C)CCCC1.C=C(COCOCC(C)(C)C)C(=O)OC1(C)CCCCC1.C=C(COCOCC(C)(C)C)C(=O)OC1(CC)CCCC1.

What is the InChIKey of 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate?

The InChIKey is CCBHFERMXVJVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5.2C17H30O4.C16H28O4.C14H22O5.C14H26O4/c1-11(8-20-9-19-2)17(18)22-10-21-16-14-4-12-3-13(6-14)7-15(16)5-12;1-14(11-19-13-20-12-16(2,3)4)15(18)21-17(5)9-7-6-8-10-17;1-6-17(9-7-8-10-17)21-15(18)14(2)11-19-13-20-12-16(3,4)5;1-13(10-18-12-19-11-15(2,3)4)14(17)20-16(5)8-6-7-9-16;1-10(7-17-8-16-2)14(15)19-9-18-13-6-11-3-4-12(13)5-11;1-11(12(15)18-14(5,6)7)8-16-10-17-9-13(2,3)4/h12-16H,1,3-10H2,2H3;1,6-13H2,2-5H3;2,6-13H2,1,3-5H3;1,6-12H2,2-5H3;11-13H,1,3-9H2,2H3;1,8-10H2,2-7H3.

What are the key properties of 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate?

2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate has a molecular weight of 1720.31 g/mol, XLogP of 18.44, 44 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-adamantyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;2-bicyclo[2.2.1]heptanyloxymethyl 2-(methoxymethoxymethyl)prop-2-enoate;tert-butyl 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-ethylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclohexyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate;(1-methylcyclopentyl) 2-(2,2-dimethylpropoxymethoxymethyl)prop-2-enoate is sourced from PubChem (CID 163477944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).