tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane

C32H62O2Si3 — CID 56616320

About tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane (PubChem CID 56616320) has the molecular formula C32H62O2Si3 and a molecular weight of 563.10 g/mol. Its IUPAC name is tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
• PubChem CID: 56616320
• Molecular Formula: C32H62O2Si3
• Molecular Weight: 563.10 g/mol
• Exact Mass: 562.41
• IUPAC Name: tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane
• SMILES: C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C)[C@H]1CC#C[Si](C)(C)C
• InChI: InChI=1S/C32H62O2Si3/c1-16-17-18-20-27(33-36(12,13)31(3,4)5)22-23-29-28(21-19-24-35(9,10)11)26(2)25-30(29)34-37(14,15)32(6,7)8/h22-23,27-30H,2,16-18,20-21,25H2,1,3-15H3/t27-,28-,29+,30+/m0/s1
• InChIKey: QIFAOOLGCMTTDW-VZNYXHRGSA-N
• XLogP: 10.37
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.10
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane (CID 56616320) is tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane.

What is the SMILES notation for tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane?

The canonical SMILES for tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane is C=C1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C)[C@H]1CC#C[Si](C)(C)C.

What is the InChIKey of tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane?

The InChIKey is QIFAOOLGCMTTDW-VZNYXHRGSA-N. The full InChI is InChI=1S/C32H62O2Si3/c1-16-17-18-20-27(33-36(12,13)31(3,4)5)22-23-29-28(21-19-24-35(9,10)11)26(2)25-30(29)34-37(14,15)32(6,7)8/h22-23,27-30H,2,16-18,20-21,25H2,1,3-15H3/t27-,28-,29+,30+/m0/s1.

What are the key properties of tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane?

tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane has a molecular weight of 563.10 g/mol, XLogP of 10.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(3S)-1-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylidene-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]oct-1-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 56616320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).