(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one

C15H28O4Si — CID 15637441

IUPAC(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one
SMILESC=CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O4Si/c1-9-11(16)13(12-10-17-15(5,6)18-12)19-20(7,8)14(2,3)4/h9,12-13H,1,10H2,2-8H3/t12-,13+/m1/s1
InChIKeyCCIOUJDHGPALHK-OLZOCXBDSA-N
MW300.47 g/mol
LogP3.28
Rot. Bonds5

About (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one

(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one (PubChem CID 15637441) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one.

Molecular Properties

Compound Name(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one
PubChem CID15637441
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one
SMILESC=CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H28O4Si/c1-9-11(16)13(12-10-17-15(5,6)18-12)19-20(7,8)14(2,3)4/h9,12-13H,1,10H2,2-8H3/t12-,13+/m1/s1
InChIKeyCCIOUJDHGPALHK-OLZOCXBDSA-N
XLogP3.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-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-butyl(dimethyl)silyl]oxy-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 11174096
2-[Tert-butyl(dimethyl)silyl]oxy-1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)ethanone
CID 67043399
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 10334992
2-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 53359687
1-[(4R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-one
CID 59051426

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one?
The IUPAC name of (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one (CID 15637441) is (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one.
What is the SMILES notation for (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one?
The canonical SMILES for (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one is C=CC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one?
The InChIKey is CCIOUJDHGPALHK-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-9-11(16)13(12-10-17-15(5,6)18-12)19-20(7,8)14(2,3)4/h9,12-13H,1,10H2,2-8H3/t12-,13+/m1/s1.
What are the key properties of (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one?
(1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one has a molecular weight of 300.47 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-one is sourced from PubChem (CID 15637441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).