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

C28H52O3Si2 — CID 57242292

IUPAC(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCC1
InChIInChI=1S/C28H52O3Si2/c1-12-15-23-22(24(29)20-26(23)31-33(10,11)28(5,6)7)18-19-25(21-16-13-14-17-21)30-32(8,9)27(2,3)4/h12,18-19,21-23,25-26H,1,13-17,20H2,2-11H3/t22-,23-,25-,26-/m1/s1
InChIKeyWDSVSDTVIMBIAN-OQUNMALSSA-N
MW492.89 g/mol
LogP8.29
Rot. Bonds9

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

(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one (PubChem CID 57242292) has the molecular formula C28H52O3Si2 and a molecular weight of 492.89 g/mol. Its IUPAC name is (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one.

Molecular Properties

Compound Name(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one
PubChem CID57242292
Molecular FormulaC28H52O3Si2
Molecular Weight492.89 g/mol
Exact Mass492.35
IUPAC Name(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one
SMILESC=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCC1
InChIInChI=1S/C28H52O3Si2/c1-12-15-23-22(24(29)20-26(23)31-33(10,11)28(5,6)7)18-19-25(21-16-13-14-17-21)30-32(8,9)27(2,3)4/h12,18-19,21-23,25-26H,1,13-17,20H2,2-11H3/t22-,23-,25-,26-/m1/s1
InChIKeyWDSVSDTVIMBIAN-OQUNMALSSA-N
XLogP8.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.89
LogP ≤ 58.29
H-Bond Donors ≤ 50
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 (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
The IUPAC name of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one (CID 57242292) is (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one.
What is the SMILES notation for (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
The canonical SMILES for (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one is C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CC(=O)[C@@H]1C=C[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCC1.
What is the InChIKey of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
The InChIKey is WDSVSDTVIMBIAN-OQUNMALSSA-N. The full InChI is InChI=1S/C28H52O3Si2/c1-12-15-23-22(24(29)20-26(23)31-33(10,11)28(5,6)7)18-19-25(21-16-13-14-17-21)30-32(8,9)27(2,3)4/h12,18-19,21-23,25-26H,1,13-17,20H2,2-11H3/t22-,23-,25-,26-/m1/s1.
What are the key properties of (2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one?
(2R,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one has a molecular weight of 492.89 g/mol, XLogP of 8.29, 9 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-2-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-3-cyclopentylprop-1-enyl]-3-prop-2-enylcyclopentan-1-one is sourced from PubChem (CID 57242292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).