2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate

C18H26O4 — CID 158839944

IUPAC2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H20O2.C4H6O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-3(2)4(5)6/h9-13H,1,3-7H2,2H3;1H2,2H3,(H,5,6)
InChIKeyIYCNPIRKZJYLBN-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.58
Rot. Bonds3

About 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate

2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate (PubChem CID 158839944) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
PubChem CID158839944
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC1CC2CC1C1CCCC21
InChIInChI=1S/C14H20O2.C4H6O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-3(2)4(5)6/h9-13H,1,3-7H2,2H3;1H2,2H3,(H,5,6)
InChIKeyIYCNPIRKZJYLBN-UHFFFAOYSA-N
XLogP3.58
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-Acetoxymethylnorborn-2-yl methacrylate
CID 58819278
2-methylprop-2-enoic acid;[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 66952615
Methyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
CID 144414205
(2,3,3,4,4,5,5,6-Octafluoro-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 22088759
[8-(1,1,3,3,3-Pentafluoro-2-hydroxypropyl)-8-tricyclo[5.2.1.02,6]decanyl] 2-methylprop-2-enoate
CID 58995539
[5-(3,3,3-Trifluoro-2-hydroxy-2-methylpropyl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 59616257
[9-(3,3,3-Trifluoro-2-hydroxy-2-methylpropyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate
CID 89423942
[9-[3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl] 2-methylprop-2-enoate
CID 89424032
(6-Fluoro-6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate
CID 126538028

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate (CID 158839944) is 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate is C=C(C)C(=O)O.C=C(C)C(=O)OC1CC2CC1C1CCCC21.
What is the InChIKey of 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate?
The InChIKey is IYCNPIRKZJYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C4H6O2/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-3(2)4(5)6/h9-13H,1,3-7H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate?
2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate has a molecular weight of 306.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate is sourced from PubChem (CID 158839944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).