(1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one

C30H50O5Si2 — CID 101116086

About (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one

(1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one (PubChem CID 101116086) has the molecular formula C30H50O5Si2 and a molecular weight of 546.90 g/mol. Its IUPAC name is (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one.

Molecular Properties

• Compound Name: (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
• PubChem CID: 101116086
• Molecular Formula: C30H50O5Si2
• Molecular Weight: 546.90 g/mol
• Exact Mass: 546.32
• IUPAC Name: (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one
• SMILES: C=CC[C@@H]1C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](Cc3cccc(O[Si](C)(C)C(C)(C)C)c3C(=O)O1)O2
• InChI: InChI=1S/C30H50O5Si2/c1-12-14-22-18-24-20-25(34-36(8,9)29(2,3)4)19-23(32-24)17-21-15-13-16-26(27(21)28(31)33-22)35-37(10,11)30(5,6)7/h12-13,15-16,22-25H,1,14,17-20H2,2-11H3/t22-,23-,24+,25+/m1/s1
• InChIKey: UCZRRSKJPSAXRF-NGSHPTGOSA-N
• XLogP: 8.06
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.90
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one?

The IUPAC name of (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one (CID 101116086) is (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one.

What is the SMILES notation for (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one?

The canonical SMILES for (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one is C=CC[C@@H]1C[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](Cc3cccc(O[Si](C)(C)C(C)(C)C)c3C(=O)O1)O2.

What is the InChIKey of (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one?

The InChIKey is UCZRRSKJPSAXRF-NGSHPTGOSA-N. The full InChI is InChI=1S/C30H50O5Si2/c1-12-14-22-18-24-20-25(34-36(8,9)29(2,3)4)19-23(32-24)17-21-15-13-16-26(27(21)28(31)33-22)35-37(10,11)30(5,6)7/h12-13,15-16,22-25H,1,14,17-20H2,2-11H3/t22-,23-,24+,25+/m1/s1.

What are the key properties of (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one?

(1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one has a molecular weight of 546.90 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,11R,13S,15S)-7,15-bis[[tert-butyl(dimethyl)silyl]oxy]-11-prop-2-enyl-10,17-dioxatricyclo[11.3.1.03,8]heptadeca-3(8),4,6-trien-9-one is sourced from PubChem (CID 101116086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).