(3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one

C41H72O4Si — CID 134887297

About (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one

(3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one (PubChem CID 134887297) has the molecular formula C41H72O4Si and a molecular weight of 657.11 g/mol. Its IUPAC name is (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one.

Molecular Properties

• Compound Name: (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one
• PubChem CID: 134887297
• Molecular Formula: C41H72O4Si
• Molecular Weight: 657.11 g/mol
• Exact Mass: 656.52
• IUPAC Name: (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one
• SMILES: CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CC)/C=C/[C@H]1CC=CC(OC(C)C)O1
• InChI: InChI=1S/C41H72O4Si/c1-16-34(13)41(45-46(29(5)6,30(7)8)31(9)10)36(15)40(42)35(14)26-32(11)20-18-21-33(12)27-37(17-2)24-25-38-22-19-23-39(44-38)43-28(3)4/h18-20,23-31,33-36,38-39,41H,16-17,21-22H2,1-15H3/b20-18+,25-24+,32-26+,37-27-/t33-,34+,35-,36-,38-,39?,41-/m1/s1
• InChIKey: YPFVDFLCEBGXSM-NVFYGGMXSA-N
• XLogP: 11.95
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 20
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.11
LogP ≤ 5	11.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one?

The IUPAC name of (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one (CID 134887297) is (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one.

What is the SMILES notation for (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one?

The canonical SMILES for (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one is CCC(=C/[C@H](C)C/C=C/C(C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H](C)CC)/C=C/[C@H]1CC=CC(OC(C)C)O1.

What is the InChIKey of (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one?

The InChIKey is YPFVDFLCEBGXSM-NVFYGGMXSA-N. The full InChI is InChI=1S/C41H72O4Si/c1-16-34(13)41(45-46(29(5)6,30(7)8)31(9)10)36(15)40(42)35(14)26-32(11)20-18-21-33(12)27-37(17-2)24-25-38-22-19-23-39(44-38)43-28(3)4/h18-20,23-31,33-36,38-39,41H,16-17,21-22H2,1-15H3/b20-18+,25-24+,32-26+,37-27-/t33-,34+,35-,36-,38-,39?,41-/m1/s1.

What are the key properties of (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one?

(3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one has a molecular weight of 657.11 g/mol, XLogP of 11.95, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4R,5S,7R,8E,10E,13R,14Z,16E)-15-ethyl-3,5,7,9,13-pentamethyl-17-[(2R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-4-tri(propan-2-yl)silyloxyheptadeca-8,10,14,16-tetraen-6-one is sourced from PubChem (CID 134887297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).