(4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one

C13H24O3Si — CID 11807306

IUPAC(4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC(=O)C[C@H]1O
InChIInChI=1S/C13H24O3Si/c1-9(11-7-10(14)8-12(11)15)16-17(5,6)13(2,3)4/h7,9,12,15H,8H2,1-6H3/t9-,12+/m0/s1
InChIKeyORYGQYCXVKGKGZ-JOYOIKCWSA-N
MW256.42 g/mol
LogP2.66
Rot. Bonds3

About (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one

(4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one (PubChem CID 11807306) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one
PubChem CID11807306
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one
SMILESC[C@H](O[Si](C)(C)C(C)(C)C)C1=CC(=O)C[C@H]1O
InChIInChI=1S/C13H24O3Si/c1-9(11-7-10(14)8-12(11)15)16-17(5,6)13(2,3)4/h7,9,12,15H,8H2,1-6H3/t9-,12+/m0/s1
InChIKeyORYGQYCXVKGKGZ-JOYOIKCWSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-2-en-1-one
CID 11184065
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-4-hydroxycyclohept-2-en-1-one
CID 101658121
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
CID 11780145
3-Butyl-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 12653997
4-[Tert-butyl(dimethyl)silyl]oxy-3-(7-hydroxyheptyl)cyclopent-2-en-1-one
CID 20513649
trans-(3R,4E,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-butylidene-5-hydroxycyclohexan-1-one
CID 58906143
4-[Tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one
CID 70406982
4-Hydroxy-3-(1-hydroxyethyl)cyclopent-2-en-1-one
CID 75274412
trans-(3R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-butylidene-5-hydroxycyclohexan-1-one
CID 90811888
(4R)-2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
CID 139675794
2-[7-[Tert-butyl(dimethyl)silyl]oxyheptyl]-4-hydroxycyclopent-2-en-1-one
CID 139675795
(3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxycyclopentene-1-carboxylic acid
CID 141493039

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one?
The IUPAC name of (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one (CID 11807306) is (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one.
What is the SMILES notation for (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one?
The canonical SMILES for (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one is C[C@H](O[Si](C)(C)C(C)(C)C)C1=CC(=O)C[C@H]1O.
What is the InChIKey of (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one?
The InChIKey is ORYGQYCXVKGKGZ-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-9(11-7-10(14)8-12(11)15)16-17(5,6)13(2,3)4/h7,9,12,15H,8H2,1-6H3/t9-,12+/m0/s1.
What are the key properties of (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one?
(4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one has a molecular weight of 256.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxycyclopent-2-en-1-one is sourced from PubChem (CID 11807306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).