oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate

C21H30O5 — CID 170852412

IUPACoxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1CCCC21.C=C(C)C(=O)OCC1CO1
InChIInChI=1S/C14H20O2.C7H10O3/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-5(2)7(8)10-4-6-3-9-6/h9-13H,1,3-7H2,2H3;6H,1,3-4H2,2H3
InChIKeyBGVAMPUYDUAPOT-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.43
Rot. Bonds5

About oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate

oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate (PubChem CID 170852412) has the molecular formula C21H30O5 and a molecular weight of 362.47 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
PubChem CID170852412
Molecular FormulaC21H30O5
Molecular Weight362.47 g/mol
Exact Mass362.21
IUPAC Nameoxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1CCCC21.C=C(C)C(=O)OCC1CO1
InChIInChI=1S/C14H20O2.C7H10O3/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-5(2)7(8)10-4-6-3-9-6/h9-13H,1,3-7H2,2H3;6H,1,3-4H2,2H3
InChIKeyBGVAMPUYDUAPOT-UHFFFAOYSA-N
XLogP3.43
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate with MolForge

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Related Compounds

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CID 13782121
2-Methylprop-2-enoic acid;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
CID 158839944
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) 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate
CID 88573398
[(8R)-2,3,3,4,4,5,5,6-octafluoro-8-tricyclo[5.2.1.02,6]decanyl] 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoate
CID 144101443
2-(4-Oxatetracyclo[6.2.1.02,7.03,5]undecan-10-yloxy)ethyl 2-methylprop-2-enoate
CID 13907997
Decahydro-1,4:5,8-dimethanonaphthalen-2-yl methacrylate
CID 14093423
(10-Methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate
CID 14093424
(9-Methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate
CID 14093425
4-Oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl 2-methylprop-2-enoate
CID 14832792
(8-Ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 15477907
(8-Methyl-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 15477908

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate?
The IUPAC name of oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate (CID 170852412) is oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate.
What is the SMILES notation for oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate?
The canonical SMILES for oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC1C1CCCC21.C=C(C)C(=O)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate?
The InChIKey is BGVAMPUYDUAPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2.C7H10O3/c1-8(2)14(15)16-13-7-9-6-12(13)11-5-3-4-10(9)11;1-5(2)7(8)10-4-6-3-9-6/h9-13H,1,3-7H2,2H3;6H,1,3-4H2,2H3.
What are the key properties of oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate?
oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate has a molecular weight of 362.47 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate is sourced from PubChem (CID 170852412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).