(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one

C28H54O3Si2 — CID 54449552

IUPAC(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@H]1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H54O3Si2/c1-13-15-16-18-22(30-32(9,10)27(3,4)5)19-20-24-23(17-14-2)25(29)21-26(24)31-33(11,12)28(6,7)8/h14,19-20,22-24,26H,2,13,15-18,21H2,1,3-12H3/t22-,23+,24+,26+/m0/s1
InChIKeyWTYNJHCLEIRPLT-POMLREGLSA-N
MW494.91 g/mol
LogP8.69
Rot. Bonds12

About (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one

(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one (PubChem CID 54449552) has the molecular formula C28H54O3Si2 and a molecular weight of 494.91 g/mol. Its IUPAC name is (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one
PubChem CID54449552
Molecular FormulaC28H54O3Si2
Molecular Weight494.91 g/mol
Exact Mass494.36
IUPAC Name(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@H]1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H54O3Si2/c1-13-15-16-18-22(30-32(9,10)27(3,4)5)19-20-24-23(17-14-2)25(29)21-26(24)31-33(11,12)28(6,7)8/h14,19-20,22-24,26H,2,13,15-18,21H2,1,3-12H3/t22-,23+,24+,26+/m0/s1
InChIKeyWTYNJHCLEIRPLT-POMLREGLSA-N
XLogP8.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.91
LogP ≤ 58.69
H-Bond Donors ≤ 50
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'}

Analyze (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one?
The IUPAC name of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one (CID 54449552) is (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one?
The canonical SMILES for (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one is C=CC[C@H]1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C=C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one?
The InChIKey is WTYNJHCLEIRPLT-POMLREGLSA-N. The full InChI is InChI=1S/C28H54O3Si2/c1-13-15-16-18-22(30-32(9,10)27(3,4)5)19-20-24-23(17-14-2)25(29)21-26(24)31-33(11,12)28(6,7)8/h14,19-20,22-24,26H,2,13,15-18,21H2,1,3-12H3/t22-,23+,24+,26+/m0/s1.
What are the key properties of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one?
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one has a molecular weight of 494.91 g/mol, XLogP of 8.69, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-2-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 54449552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).