5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol

C32H62O3Si2 — CID 67790066

IUPAC5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol
SMILESCC=C(CCCCO)[C@@H]1CC=C(/C=C/CCCCCCO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H62O3Si2/c1-12-27(21-18-19-25-33)29-24-23-28(30(29)35-37(10,11)32(5,6)7)22-17-15-13-14-16-20-26-34-36(8,9)31(2,3)4/h12,17,22-23,29-30,33H,13-16,18-21,24-26H2,1-11H3/b22-17+,27-12?/t29-,30+/m0/s1
InChIKeyVHJMYKQFVPHGFN-RWGCDZNRSA-N
MW551.02 g/mol
LogP9.96
Rot. Bonds16

About 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol

5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol (PubChem CID 67790066) has the molecular formula C32H62O3Si2 and a molecular weight of 551.02 g/mol. Its IUPAC name is 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol.

Molecular Properties

Compound Name5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol
PubChem CID67790066
Molecular FormulaC32H62O3Si2
Molecular Weight551.02 g/mol
Exact Mass550.42
IUPAC Name5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol
SMILESCC=C(CCCCO)[C@@H]1CC=C(/C=C/CCCCCCO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H62O3Si2/c1-12-27(21-18-19-25-33)29-24-23-28(30(29)35-37(10,11)32(5,6)7)22-17-15-13-14-16-20-26-34-36(8,9)31(2,3)4/h12,17,22-23,29-30,33H,13-16,18-21,24-26H2,1-11H3/b22-17+,27-12?/t29-,30+/m0/s1
InChIKeyVHJMYKQFVPHGFN-RWGCDZNRSA-N
XLogP9.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.02
LogP ≤ 59.96
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
The IUPAC name of 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol (CID 67790066) is 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol.
What is the SMILES notation for 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
The canonical SMILES for 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol is CC=C(CCCCO)[C@@H]1CC=C(/C=C/CCCCCCO[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
The InChIKey is VHJMYKQFVPHGFN-RWGCDZNRSA-N. The full InChI is InChI=1S/C32H62O3Si2/c1-12-27(21-18-19-25-33)29-24-23-28(30(29)35-37(10,11)32(5,6)7)22-17-15-13-14-16-20-26-34-36(8,9)31(2,3)4/h12,17,22-23,29-30,33H,13-16,18-21,24-26H2,1-11H3/b22-17+,27-12?/t29-,30+/m0/s1.
What are the key properties of 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol?
5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol has a molecular weight of 551.02 g/mol, XLogP of 9.96, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-8-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-3-en-1-yl]hept-5-en-1-ol is sourced from PubChem (CID 67790066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).