5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate

C134H174O47 — CID 158828401

About 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate

5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate (PubChem CID 158828401) has the molecular formula C134H174O47 and a molecular weight of 2536.82 g/mol. Its IUPAC name is 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate
• PubChem CID: 158828401
• Molecular Formula: C134H174O47
• Molecular Weight: 2536.82 g/mol
• Exact Mass: 2535.12
• IUPAC Name: 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC1(C)CCC(=O)OC1.C=C(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.C=C(C)C(=O)OC1CC2CC1CC21CCOC1=O.C=C(C)C(=O)OC1CC2CC1CC21COC(=O)C1.C=C(C)C(=O)OC1CC2CCC1CC21COC(=O)C1.C=C(C)C(=O)OC1CC2OC1CC21COC(=O)C1.C=C(C)C(=O)OC1CCC(=O)OC1.C=C(C)C(=O)OC1CCOC(=O)C1.C=C(C)C(=O)OCC(=O)OC1COC(=O)C1.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O
• InChI: InChI=1S/C15H20O4.4C14H18O4.C13H16O5.C10H12O6.C10H14O4.2C9H12O4.C7H10O2.C5H6O2/c1-9(2)14(17)19-12-5-11-4-3-10(12)6-15(11)7-13(16)18-8-15;1-8(2)13(16)18-11-4-10-3-9(11)5-14(10)6-12(15)17-7-14;2*1-8(2)12(15)18-14-5-9-3-10(6-14)13(16)17-11(4-9)7-14;1-8(2)12(15)18-11-6-10-5-9(11)7-14(10)3-4-17-13(14)16;1-7(2)12(15)18-8-3-10-13(4-9(8)17-10)5-11(14)16-6-13;1-6(2)10(13)15-5-9(12)16-7-3-8(11)14-4-7;1-7(2)9(12)14-10(3)5-4-8(11)13-6-10;1-6(2)9(11)13-7-3-4-12-8(10)5-7;1-6(2)9(11)13-7-3-4-8(10)12-5-7;1-5-4-7(2,3)9-6(5)8;1-4-2-3-7-5(4)6/h10-12H,1,3-8H2,2H3;4*9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;7H,1,3-5H2,2H3;1,4-6H2,2-3H3;2*7H,1,3-5H2,2H3;1,4H2,2-3H3;1-3H2
• InChIKey: IWSVRVQLPPDVFW-UHFFFAOYSA-N
• XLogP: 15.38
• TPSA: 614.13 Ų
• H-Bond Acceptors: 47
• Rotatable Bonds: 22
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2536.82
LogP ≤ 5	15.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	47

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 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate?

The IUPAC name of 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate (CID 158828401) is 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate.

What is the SMILES notation for 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate?

The canonical SMILES for 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C)CCC(=O)OC1.C=C(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.C=C(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.C=C(C)C(=O)OC1CC2CC1CC21CCOC1=O.C=C(C)C(=O)OC1CC2CC1CC21COC(=O)C1.C=C(C)C(=O)OC1CC2CCC1CC21COC(=O)C1.C=C(C)C(=O)OC1CC2OC1CC21COC(=O)C1.C=C(C)C(=O)OC1CCC(=O)OC1.C=C(C)C(=O)OC1CCOC(=O)C1.C=C(C)C(=O)OCC(=O)OC1COC(=O)C1.C=C1CC(C)(C)OC1=O.C=C1CCOC1=O.

What is the InChIKey of 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate?

The InChIKey is IWSVRVQLPPDVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4.4C14H18O4.C13H16O5.C10H12O6.C10H14O4.2C9H12O4.C7H10O2.C5H6O2/c1-9(2)14(17)19-12-5-11-4-3-10(12)6-15(11)7-13(16)18-8-15;1-8(2)13(16)18-11-4-10-3-9(11)5-14(10)6-12(15)17-7-14;2*1-8(2)12(15)18-14-5-9-3-10(6-14)13(16)17-11(4-9)7-14;1-8(2)12(15)18-11-6-10-5-9(11)7-14(10)3-4-17-13(14)16;1-7(2)12(15)18-8-3-10-13(4-9(8)17-10)5-11(14)16-6-13;1-6(2)10(13)15-5-9(12)16-7-3-8(11)14-4-7;1-7(2)9(12)14-10(3)5-4-8(11)13-6-10;1-6(2)9(11)13-7-3-4-12-8(10)5-7;1-6(2)9(11)13-7-3-4-8(10)12-5-7;1-5-4-7(2,3)9-6(5)8;1-4-2-3-7-5(4)6/h10-12H,1,3-8H2,2H3;4*9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;7H,1,3-5H2,2H3;1,4-6H2,2-3H3;2*7H,1,3-5H2,2H3;1,4H2,2-3H3;1-3H2.

What are the key properties of 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate?

5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate has a molecular weight of 2536.82 g/mol, XLogP of 15.38, 22 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5-dimethyl-3-methylideneoxolan-2-one;3-methylideneoxolan-2-one;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(2-oxooxan-4-yl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate;bis((5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylprop-2-enoate);[2-oxo-2-(5-oxooxolan-3-yl)oxyethyl] 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,3'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[bicyclo[2.2.2]octane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate;(2'-oxospiro[7-oxabicyclo[2.2.1]heptane-5,4'-oxolane]-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 158828401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).