tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane

C18H32O3Si — CID 11404575

IUPACtert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane
SMILESC=CCC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H32O3Si/c1-9-10-11-12-13-15(16-14-19-18(5,6)20-16)21-22(7,8)17(2,3)4/h9,15-16H,1,10,13-14H2,2-8H3/t15-,16+/m0/s1
InChIKeyXVLOWGFNKBBZHT-JKSUJKDBSA-N
MW324.54 g/mol
LogP4.50
Rot. Bonds5

About tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane (PubChem CID 11404575) has the molecular formula C18H32O3Si and a molecular weight of 324.54 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane
PubChem CID11404575
Molecular FormulaC18H32O3Si
Molecular Weight324.54 g/mol
Exact Mass324.21
IUPAC Nametert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane
SMILESC=CCC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C18H32O3Si/c1-9-10-11-12-13-15(16-14-19-18(5,6)20-16)21-22(7,8)17(2,3)4/h9,15-16H,1,10,13-14H2,2-8H3/t15-,16+/m0/s1
InChIKeyXVLOWGFNKBBZHT-JKSUJKDBSA-N
XLogP4.50
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.54
LogP ≤ 54.50
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'}

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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-[(1S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-ynoxy]-dimethylsilane
CID 14188258
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
triethyl-[(1R)-1-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoxy]silane
CID 134862159
5-(2-But-3-enyl-1,3-dioxolan-2-yl)pent-1-ynyl-tert-butyl-dimethylsilane
CID 10425413
tert-butyl-[(2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-4-en-2-yl]oxy-dimethylsilane
CID 10357472
2-[(4S,5S)-5-but-3-enyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethynyl-trimethylsilane
CID 10562800
tert-butyl-[(1R)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 10892299
tert-butyl-[(1R)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 11781878
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-1-[(4R,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]hex-2-yn-1-ol
CID 24770451
tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
Tert-butyl-[1-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)-4-trimethylsilylbut-3-ynoxy]-dimethylsilane
CID 102494284

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane (CID 11404575) is tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane is C=CCC#CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane?
The InChIKey is XVLOWGFNKBBZHT-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H32O3Si/c1-9-10-11-12-13-15(16-14-19-18(5,6)20-16)21-22(7,8)17(2,3)4/h9,15-16H,1,10,13-14H2,2-8H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane has a molecular weight of 324.54 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hept-6-en-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 11404575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).