[(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol

C32H64O3Si3 — CID 15659427

IUPAC[(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@H](CC#C[Si](C)(C)C)[C@@H](CO)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H64O3Si3/c1-15-16-17-19-27(34-37(11,12)31(2,3)4)21-22-29-28(20-18-23-36(8,9)10)26(25-33)24-30(29)35-38(13,14)32(5,6)7/h21-22,26-30,33H,15-17,19-20,24-25H2,1-14H3/b22-21+/t26-,27+,28-,29-,30-/m1/s1
InChIKeyGUGQKSVIDNYXIG-JPXSDTLRSA-N
MW581.12 g/mol
LogP9.42
Rot. Bonds12

About [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol

[(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol (PubChem CID 15659427) has the molecular formula C32H64O3Si3 and a molecular weight of 581.12 g/mol. Its IUPAC name is [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol
PubChem CID15659427
Molecular FormulaC32H64O3Si3
Molecular Weight581.12 g/mol
Exact Mass580.42
IUPAC Name[(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol
SMILESCCCCC[C@@H](/C=C/[C@@H]1[C@H](CC#C[Si](C)(C)C)[C@@H](CO)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H64O3Si3/c1-15-16-17-19-27(34-37(11,12)31(2,3)4)21-22-29-28(20-18-23-36(8,9)10)26(25-33)24-30(29)35-38(13,14)32(5,6)7/h21-22,26-30,33H,15-17,19-20,24-25H2,1-14H3/b22-21+/t26-,27+,28-,29-,30-/m1/s1
InChIKeyGUGQKSVIDNYXIG-JPXSDTLRSA-N
XLogP9.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.12
LogP ≤ 59.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol?
The IUPAC name of [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol (CID 15659427) is [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol?
The canonical SMILES for [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol is CCCCC[C@@H](/C=C/[C@@H]1[C@H](CC#C[Si](C)(C)C)[C@@H](CO)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol?
The InChIKey is GUGQKSVIDNYXIG-JPXSDTLRSA-N. The full InChI is InChI=1S/C32H64O3Si3/c1-15-16-17-19-27(34-37(11,12)31(2,3)4)21-22-29-28(20-18-23-36(8,9)10)26(25-33)24-30(29)35-38(13,14)32(5,6)7/h21-22,26-30,33H,15-17,19-20,24-25H2,1-14H3/b22-21+/t26-,27+,28-,29-,30-/m1/s1.
What are the key properties of [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol?
[(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol has a molecular weight of 581.12 g/mol, XLogP of 9.42, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]methanol is sourced from PubChem (CID 15659427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).