ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol

C91H148O15 — CID 157353167

About ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol

ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol (PubChem CID 157353167) has the molecular formula C91H148O15 and a molecular weight of 1482.17 g/mol. Its IUPAC name is ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol.

Molecular Properties

• Compound Name: ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol
• PubChem CID: 157353167
• Molecular Formula: C91H148O15
• Molecular Weight: 1482.17 g/mol
• Exact Mass: 1481.08
• IUPAC Name: ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol
• SMILES: CC.CC.CC.CC.CC1C2CC3C(=O)OC1C3C2.CC1CC2CC1CC2O.CCC1CC2CC1CC2O.COC(=O)C1C2CC3C(OC(=O)C31)C2C.O=C1OC2(CCCC2)C2C3CCC(C3)C12.O=C1OC2(CCCC2)C2CCCCC12.O=C1OCC2C3CCC(CC3)C12.OC1CC2C3CCC(CC3)C2C1
• InChI: InChI=1S/C13H18O2.C12H18O2.C11H14O4.C11H18O.C10H14O2.C9H12O2.C9H16O.C8H14O.4C2H6/c14-12-10-8-3-4-9(7-8)11(10)13(15-12)5-1-2-6-13;13-11-9-5-1-2-6-10(9)12(14-11)7-3-4-8-12;1-4-5-3-6-8(7(5)10(12)14-2)11(13)15-9(4)6;12-9-5-10-7-1-2-8(4-3-7)11(10)6-9;11-10-9-7-3-1-6(2-4-7)8(9)5-12-10;1-4-5-2-6-7(3-5)9(10)11-8(4)6;1-2-6-3-8-4-7(6)5-9(8)10;1-5-2-7-3-6(5)4-8(7)9;4*1-2/h8-11H,1-7H2;9-10H,1-8H2;4-9H,3H2,1-2H3;7-12H,1-6H2;6-9H,1-5H2;4-8H,2-3H2,1H3;6-10H,2-5H2,1H3;5-9H,2-4H2,1H3;4*1-2H3
• InChIKey: BHTRAJSCAZBKIY-UHFFFAOYSA-N
• XLogP: 18.10
• TPSA: 218.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 2
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1482.17
LogP ≤ 5	18.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol?

The IUPAC name of ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol (CID 157353167) is ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol.

What is the SMILES notation for ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol?

The canonical SMILES for ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol is CC.CC.CC.CC.CC1C2CC3C(=O)OC1C3C2.CC1CC2CC1CC2O.CCC1CC2CC1CC2O.COC(=O)C1C2CC3C(OC(=O)C31)C2C.O=C1OC2(CCCC2)C2C3CCC(C3)C12.O=C1OC2(CCCC2)C2CCCCC12.O=C1OCC2C3CCC(CC3)C12.OC1CC2C3CCC(CC3)C2C1.

What is the InChIKey of ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol?

The InChIKey is BHTRAJSCAZBKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.C12H18O2.C11H14O4.C11H18O.C10H14O2.C9H12O2.C9H16O.C8H14O.4C2H6/c14-12-10-8-3-4-9(7-8)11(10)13(15-12)5-1-2-6-13;13-11-9-5-1-2-6-10(9)12(14-11)7-3-4-8-12;1-4-5-3-6-8(7(5)10(12)14-2)11(13)15-9(4)6;12-9-5-10-7-1-2-8(4-3-7)11(10)6-9;11-10-9-7-3-1-6(2-4-7)8(9)5-12-10;1-4-5-2-6-7(3-5)9(10)11-8(4)6;1-2-6-3-8-4-7(6)5-9(8)10;1-5-2-7-3-6(5)4-8(7)9;4*1-2/h8-11H,1-7H2;9-10H,1-8H2;4-9H,3H2,1-2H3;7-12H,1-6H2;6-9H,1-5H2;4-8H,2-3H2,1H3;6-10H,2-5H2,1H3;5-9H,2-4H2,1H3;4*1-2H3.

What are the key properties of ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol?

ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol has a molecular weight of 1482.17 g/mol, XLogP of 18.10, 2 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-ethylbicyclo[2.2.1]heptan-2-ol;5-methylbicyclo[2.2.1]heptan-2-ol;methyl 2-methyl-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;2-methyl-4-oxatricyclo[4.2.1.03,7]nonan-5-one;4-oxatricyclo[5.2.2.02,6]undecan-3-one;spiro[3a,4,5,6,7,7a-hexahydro-2-benzofuran-3,1'-cyclopentane]-1-one;spiro[4-oxatricyclo[5.2.1.02,6]decane-5,1'-cyclopentane]-3-one;tricyclo[5.2.2.02,6]undecan-4-ol is sourced from PubChem (CID 157353167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).