(1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione

C27H46O7Si — CID 10436383

About (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione

(1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione (PubChem CID 10436383) has the molecular formula C27H46O7Si and a molecular weight of 510.74 g/mol. Its IUPAC name is (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione.

Molecular Properties

• Compound Name: (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione
• PubChem CID: 10436383
• Molecular Formula: C27H46O7Si
• Molecular Weight: 510.74 g/mol
• Exact Mass: 510.30
• IUPAC Name: (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione
• SMILES: COC1C[C@H]2C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]2O1
• InChI: InChI=1S/C27H46O7Si/c1-18-15-20-16-24(30-6)33-25(20)26(31-7)22(34-35(8,9)27(3,4)5)17-23(29)32-19(2)13-11-10-12-14-21(18)28/h10-12,14,18-20,22,24-26H,13,15-17H2,1-9H3/b11-10+,14-12+/t18-,19-,20-,22-,24?,25+,26+/m1/s1
• InChIKey: CXVIXSGTVOKSQK-NHPGJAIQSA-N
• XLogP: 5.20
• TPSA: 80.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.74
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione?

The IUPAC name of (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione (CID 10436383) is (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione.

What is the SMILES notation for (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione?

The canonical SMILES for (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione is COC1C[C@H]2C[C@@H](C)C(=O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC)[C@H]2O1.

What is the InChIKey of (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione?

The InChIKey is CXVIXSGTVOKSQK-NHPGJAIQSA-N. The full InChI is InChI=1S/C27H46O7Si/c1-18-15-20-16-24(30-6)33-25(20)26(31-7)22(34-35(8,9)27(3,4)5)17-23(29)32-19(2)13-11-10-12-14-21(18)28/h10-12,14,18-20,22,24-26H,13,15-17H2,1-9H3/b11-10+,14-12+/t18-,19-,20-,22-,24?,25+,26+/m1/s1.

What are the key properties of (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione?

(1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione has a molecular weight of 510.74 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2R,3R,7R,9E,11E,14R,16R)-3-[tert-butyl(dimethyl)silyl]oxy-2,18-dimethoxy-7,14-dimethyl-6,19-dioxabicyclo[14.3.0]nonadeca-9,11-diene-5,13-dione is sourced from PubChem (CID 10436383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).