(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol

C24H46O3Si2 — CID 22839331

IUPAC(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol
SMILESC=CC(C/C=C/[C@@H]1C=C(O)C[C@H]1O[Si](C)(C)C(C)(C)C)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C24H46O3Si2/c1-11-13-16-24(12-2,27-28(6,7)8)17-14-15-20-18-21(25)19-22(20)26-29(9,10)23(3,4)5/h12,14-15,18,20,22,25H,2,11,13,16-17,19H2,1,3-10H3/b15-14+/t20-,22-,24?/m1/s1
InChIKeySRCFVGWHLONKIF-DWOHIFKMSA-N
MW438.80 g/mol
LogP7.75
Rot. Bonds11

About (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol

(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol (PubChem CID 22839331) has the molecular formula C24H46O3Si2 and a molecular weight of 438.80 g/mol. Its IUPAC name is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol.

Molecular Properties

Compound Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol
PubChem CID22839331
Molecular FormulaC24H46O3Si2
Molecular Weight438.80 g/mol
Exact Mass438.30
IUPAC Name(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol
SMILESC=CC(C/C=C/[C@@H]1C=C(O)C[C@H]1O[Si](C)(C)C(C)(C)C)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C24H46O3Si2/c1-11-13-16-24(12-2,27-28(6,7)8)17-14-15-20-18-21(25)19-22(20)26-29(9,10)23(3,4)5/h12,14-15,18,20,22,25H,2,11,13,16-17,19H2,1,3-10H3/b15-14+/t20-,22-,24?/m1/s1
InChIKeySRCFVGWHLONKIF-DWOHIFKMSA-N
XLogP7.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.80
LogP ≤ 57.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol?
The IUPAC name of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol (CID 22839331) is (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol.
What is the SMILES notation for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol?
The canonical SMILES for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol is C=CC(C/C=C/[C@@H]1C=C(O)C[C@H]1O[Si](C)(C)C(C)(C)C)(CCCC)O[Si](C)(C)C.
What is the InChIKey of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol?
The InChIKey is SRCFVGWHLONKIF-DWOHIFKMSA-N. The full InChI is InChI=1S/C24H46O3Si2/c1-11-13-16-24(12-2,27-28(6,7)8)17-14-15-20-18-21(25)19-22(20)26-29(9,10)23(3,4)5/h12,14-15,18,20,22,25H,2,11,13,16-17,19H2,1,3-10H3/b15-14+/t20-,22-,24?/m1/s1.
What are the key properties of (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol?
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol has a molecular weight of 438.80 g/mol, XLogP of 7.75, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(E)-4-ethenyl-4-trimethylsilyloxyoct-1-enyl]cyclopenten-1-ol is sourced from PubChem (CID 22839331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).