(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one

C13H24O3Si — CID 11780145

IUPAC(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
SMILESC[C@@H](O)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C13H24O3Si/c1-9(14)11-7-10(8-12(11)15)16-17(5,6)13(2,3)4/h7,9-10,14H,8H2,1-6H3/t9-,10+/m1/s1
InChIKeyQBBYMSIHGMZULF-ZJUUUORDSA-N
MW256.42 g/mol
LogP2.66
Rot. Bonds3

About (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one

(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one (PubChem CID 11780145) has the molecular formula C13H24O3Si and a molecular weight of 256.42 g/mol. Its IUPAC name is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
PubChem CID11780145
Molecular FormulaC13H24O3Si
Molecular Weight256.42 g/mol
Exact Mass256.15
IUPAC Name(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one
SMILESC[C@@H](O)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O
InChIInChI=1S/C13H24O3Si/c1-9(14)11-7-10(8-12(11)15)16-17(5,6)13(2,3)4/h7,9-10,14H,8H2,1-6H3/t9-,10+/m1/s1
InChIKeyQBBYMSIHGMZULF-ZJUUUORDSA-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'}

Analyze (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-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

Related Compounds

2-(((Tert-butyldimethylsilyl)oxy)methyl)-2-cyclopentenone
CID 13161571
(4S)-4-hydroxy-4-methyl-2-(triethylsilyloxymethyl)cyclopent-2-en-1-one
CID 134894370
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-6-(hydroxymethyl)cyclohexa-2,5-diene-1,4-dione
CID 134923947
4-[Tert-butyl(dimethyl)silyl]oxy-2-methylcyclopent-2-en-1-one
CID 10987962
(RS)-3-allyl-4-oxo-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 14189022
(R)-2-allyl-4-(tert-butyldimethylsilyloxy)cyclopent-2-enone
CID 14189023
4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-2-trimethylsilylnon-2-enyl]cyclopent-2-en-1-one
CID 20700488
4-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-non-2-enyl]cyclopent-2-en-1-one
CID 20700491
(RS)-3-ethyl-4-oxo-2-cyclopenten-1-yl (t-butyldimethylsilyl) ether
CID 57084195
2-[(Z)-hept-2-enyl]-4-hydroxycyclopent-2-en-1-one
CID 57912511
4-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one
CID 59941513
4-[Tert-butyl(dimethyl)silyl]oxy-2-(1-hydroxyprop-2-enyl)-3-prop-2-enylcyclopent-2-en-1-one
CID 70406982

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one (CID 11780145) is (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one is C[C@@H](O)C1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O.
What is the InChIKey of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one?
The InChIKey is QBBYMSIHGMZULF-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H24O3Si/c1-9(14)11-7-10(8-12(11)15)16-17(5,6)13(2,3)4/h7,9-10,14H,8H2,1-6H3/t9-,10+/m1/s1.
What are the key properties of (4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one?
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-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)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-hydroxyethyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11780145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).