[(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane

C30H52O4Si3 — CID 10897010

About [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane

[(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane (PubChem CID 10897010) has the molecular formula C30H52O4Si3 and a molecular weight of 561.00 g/mol. Its IUPAC name is [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane.

Molecular Properties

• Compound Name: [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
• PubChem CID: 10897010
• Molecular Formula: C30H52O4Si3
• Molecular Weight: 561.00 g/mol
• Exact Mass: 560.32
• IUPAC Name: [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane
• SMILES: C/C1=C\COCC#CCC2(O[Si](C)(C)C)C(=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C#C1
• InChI: InChI=1S/C30H52O4Si3/c1-24-17-18-25-23-26(32-36(11,12)28(2,3)4)27(33-37(13,14)29(5,6)7)30(25,34-35(8,9)10)20-15-16-21-31-22-19-24/h19,23,26-27H,20-22H2,1-14H3/b24-19+/t26-,27+,30?/m1/s1
• InChIKey: KKLXYFZNOONZTF-YCTPSZQLSA-N
• XLogP: 7.67
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.00
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane?

The IUPAC name of [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane (CID 10897010) is [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane.

What is the SMILES notation for [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane?

The canonical SMILES for [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane is C/C1=C\COCC#CCC2(O[Si](C)(C)C)C(=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)C#C1.

What is the InChIKey of [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane?

The InChIKey is KKLXYFZNOONZTF-YCTPSZQLSA-N. The full InChI is InChI=1S/C30H52O4Si3/c1-24-17-18-25-23-26(32-36(11,12)28(2,3)4)27(33-37(13,14)29(5,6)7)30(25,34-35(8,9)10)20-15-16-21-31-22-19-24/h19,23,26-27H,20-22H2,1-14H3/b24-19+/t26-,27+,30?/m1/s1.

What are the key properties of [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane?

[(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane has a molecular weight of 561.00 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(8Z,14R,15S)-14,15-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-oxabicyclo[10.3.0]pentadeca-8,12-dien-3,10-diyn-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 10897010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).