tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane

C17H30O3Si — CID 14188258

IUPACtert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](C#CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-10-12-14(20-21(8,9)16(3,4)5)15-13(11-2)18-17(6,7)19-15/h11,13-15H,2H2,1,3-9H3/t13-,14-,15-/m0/s1
InChIKeyFAOAXBUQIHPVGV-KKUMJFAQSA-N
MW310.51 g/mol
LogP4.11
Rot. Bonds4

About tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane (PubChem CID 14188258) has the molecular formula C17H30O3Si and a molecular weight of 310.51 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane
PubChem CID14188258
Molecular FormulaC17H30O3Si
Molecular Weight310.51 g/mol
Exact Mass310.20
IUPAC Nametert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](C#CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O3Si/c1-10-12-14(20-21(8,9)16(3,4)5)15-13(11-2)18-17(6,7)19-15/h11,13-15H,2H2,1,3-9H3/t13-,14-,15-/m0/s1
InChIKeyFAOAXBUQIHPVGV-KKUMJFAQSA-N
XLogP4.11
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.11
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane 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

tert-butyl-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 10990553
tert-butyl-[[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 13846571
tert-butyl-[(2R)-6-[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]-6-(methoxymethoxy)hex-4-yn-2-yl]oxy-dimethylsilane
CID 25018438
tert-butyl-[[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 49793489
[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]-triethylsilane
CID 134851327
triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane
CID 134862159
3-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-1-ynyl-trimethylsilane
CID 10586049
tert-butyl-[[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11043922
tert-butyl-[[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 90075137
1-[(4R,5R)-5-but-1-en-2-yl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy-tert-butyl-dimethylsilane
CID 161509453
tert-butyl-[(3S)-7-[(4R,5S)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]hepta-4,6-diyn-3-yl]oxy-dimethylsilane
CID 169104123
tert-butyl-[(3S)-7-[(4S,5R)-2,2-dimethyl-5-[(E)-oct-1-enyl]-1,3-dioxolan-4-yl]hepta-4,6-diyn-3-yl]oxy-dimethylsilane
CID 169104125

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane (CID 14188258) is tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane is C=C[C@@H]1OC(C)(C)O[C@@H]1[C@H](C#CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane?
The InChIKey is FAOAXBUQIHPVGV-KKUMJFAQSA-N. The full InChI is InChI=1S/C17H30O3Si/c1-10-12-14(20-21(8,9)16(3,4)5)15-13(11-2)18-17(6,7)19-15/h11,13-15H,2H2,1,3-9H3/t13-,14-,15-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane has a molecular weight of 310.51 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane is sourced from PubChem (CID 14188258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).