[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate

C32H54O5Si — CID 154284047

About [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate

[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate (PubChem CID 154284047) has the molecular formula C32H54O5Si and a molecular weight of 546.87 g/mol. Its IUPAC name is [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate.

Molecular Properties

• Compound Name: [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate
• PubChem CID: 154284047
• Molecular Formula: C32H54O5Si
• Molecular Weight: 546.87 g/mol
• Exact Mass: 546.37
• IUPAC Name: [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate
• SMILES: CC(=O)OC1C[C@H]2[C@@H](CCC3CCCC(O[Si](C)(C)C)[C@@]32C)[C@@H]2C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]3[C@@]12C
• InChI: InChI=1S/C32H54O5Si/c1-19-14-15-32(34-18-19)20(2)29-26(36-32)16-24-23-13-12-22-10-9-11-27(37-38(6,7)8)30(22,4)25(23)17-28(31(24,29)5)35-21(3)33/h19-20,22-29H,9-18H2,1-8H3/t19-,20+,22?,23+,24+,25+,26+,27?,28?,29+,30+,31-,32-/m1/s1
• InChIKey: GJXNVSLHZALDOV-YDRBKVMHSA-N
• XLogP: 7.19
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.87
LogP ≤ 5	7.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate?

The IUPAC name of [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate (CID 154284047) is [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate.

What is the SMILES notation for [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate?

The canonical SMILES for [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate is CC(=O)OC1C[C@H]2[C@@H](CCC3CCCC(O[Si](C)(C)C)[C@@]32C)[C@@H]2C[C@@H]3O[C@]4(CC[C@@H](C)CO4)[C@@H](C)[C@@H]3[C@@]12C.

What is the InChIKey of [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate?

The InChIKey is GJXNVSLHZALDOV-YDRBKVMHSA-N. The full InChI is InChI=1S/C32H54O5Si/c1-19-14-15-32(34-18-19)20(2)29-26(36-32)16-24-23-13-12-22-10-9-11-27(37-38(6,7)8)30(22,4)25(23)17-28(31(24,29)5)35-21(3)33/h19-20,22-29H,9-18H2,1-8H3/t19-,20+,22?,23+,24+,25+,26+,27?,28?,29+,30+,31-,32-/m1/s1.

What are the key properties of [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate?

[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate has a molecular weight of 546.87 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13S)-5',7,9,13-tetramethyl-14-trimethylsilyloxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-yl] acetate is sourced from PubChem (CID 154284047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).