methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate

C152H256O28 — CID 158022832

About methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate

methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate (PubChem CID 158022832) has the molecular formula C152H256O28 and a molecular weight of 2531.69 g/mol. Its IUPAC name is methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate.

Molecular Properties

• Compound Name: methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate
• PubChem CID: 158022832
• Molecular Formula: C152H256O28
• Molecular Weight: 2531.69 g/mol
• Exact Mass: 2529.86
• IUPAC Name: methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1C(C)C2CC1C1(CCOC1=O)C2.CCC(C)(C)C(=O)OC1C(C)C2CC1C1C2C2CC1C1(COC(=O)C1)C2.CCC(C)(C)C(=O)OC1CC2CC1C1(CCOC1=O)C2.CCC(C)(C)C(=O)OC1CC2CC1C1C2C2CC1C1(COC(=O)C1)C2.CCC(C)(C)C(=O)OC1CC2CC1C1C3CC(C21)C1(CCOC1=O)C3.CCC(C)(C)C(=O)OC1CC2CC1C1C3CC(C21)C1(COC(=O)C1)C3.CCC(C)C(=O)OC1CC2CC1C1C2C2CC1C1(COC(=O)C1)C2
• InChI: InChI=1S/C22H32O4.3C21H30O4.C20H28O4.C17H26O4.C16H24O4.14CH4/c1-5-21(3,4)20(24)26-19-11(2)13-7-14(19)18-15-6-12(17(13)18)8-22(15)9-16(23)25-10-22;1-4-20(2,3)19(23)25-15-7-11-5-13(15)17-12-6-14(18(11)17)21(8-12)9-16(22)24-10-21;1-4-20(2,3)19(23)25-15-7-11-5-13(15)18-14-6-12(17(11)18)8-21(14)9-16(22)24-10-21;1-4-20(2,3)18(22)25-15-9-11-7-13(15)16-12-8-14(17(11)16)21(10-12)5-6-24-19(21)23;1-3-10(2)19(22)24-15-6-11-4-13(15)18-14-5-12(17(11)18)7-20(14)8-16(21)23-9-20;1-5-16(3,4)14(18)21-13-10(2)11-8-12(13)17(9-11)6-7-20-15(17)19;1-4-15(2,3)13(17)20-12-8-10-7-11(12)16(9-10)5-6-19-14(16)18;;;;;;;;;;;;;;/h11-15,17-19H,5-10H2,1-4H3;2*11-15,17-18H,4-10H2,1-3H3;11-17H,4-10H2,1-3H3;10-15,17-18H,3-9H2,1-2H3;10-13H,5-9H2,1-4H3;10-12H,4-9H2,1-3H3;14*1H4
• InChIKey: FGGJGDJLEMRDLI-UHFFFAOYSA-N
• XLogP: 32.30
• TPSA: 368.20 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2531.69
LogP ≤ 5	32.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate?

The IUPAC name of methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate (CID 158022832) is methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate.

What is the SMILES notation for methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate?

The canonical SMILES for methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC1C(C)C2CC1C1(CCOC1=O)C2.CCC(C)(C)C(=O)OC1C(C)C2CC1C1C2C2CC1C1(COC(=O)C1)C2.CCC(C)(C)C(=O)OC1CC2CC1C1(CCOC1=O)C2.CCC(C)(C)C(=O)OC1CC2CC1C1C2C2CC1C1(COC(=O)C1)C2.CCC(C)(C)C(=O)OC1CC2CC1C1C3CC(C21)C1(CCOC1=O)C3.CCC(C)(C)C(=O)OC1CC2CC1C1C3CC(C21)C1(COC(=O)C1)C3.CCC(C)C(=O)OC1CC2CC1C1C2C2CC1C1(COC(=O)C1)C2.

What is the InChIKey of methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate?

The InChIKey is FGGJGDJLEMRDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O4.3C21H30O4.C20H28O4.C17H26O4.C16H24O4.14CH4/c1-5-21(3,4)20(24)26-19-11(2)13-7-14(19)18-15-6-12(17(13)18)8-22(15)9-16(23)25-10-22;1-4-20(2,3)19(23)25-15-7-11-5-13(15)17-12-6-14(18(11)17)21(8-12)9-16(22)24-10-21;1-4-20(2,3)19(23)25-15-7-11-5-13(15)18-14-6-12(17(11)18)8-21(14)9-16(22)24-10-21;1-4-20(2,3)18(22)25-15-9-11-7-13(15)16-12-8-14(17(11)16)21(10-12)5-6-24-19(21)23;1-3-10(2)19(22)24-15-6-11-4-13(15)18-14-5-12(17(11)18)7-20(14)8-16(21)23-9-20;1-5-16(3,4)14(18)21-13-10(2)11-8-12(13)17(9-11)6-7-20-15(17)19;1-4-15(2,3)13(17)20-12-8-10-7-11(12)16(9-10)5-6-19-14(16)18;;;;;;;;;;;;;;/h11-15,17-19H,5-10H2,1-4H3;2*11-15,17-18H,4-10H2,1-3H3;11-17H,4-10H2,1-3H3;10-15,17-18H,3-9H2,1-2H3;10-13H,5-9H2,1-4H3;10-12H,4-9H2,1-3H3;14*1H4.

What are the key properties of methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate?

methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate has a molecular weight of 2531.69 g/mol, XLogP of 32.30, 21 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(3-methyl-2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(5'-methyl-2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2'-oxospiro[bicyclo[2.2.1]heptane-6,3'-oxolane]-2-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-3,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,9'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2,2-dimethylbutanoate;(2-oxospiro[oxolane-4,10'-tetracyclo[6.2.1.13,6.02,7]dodecane]-4'-yl) 2-methylbutanoate is sourced from PubChem (CID 158022832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).