tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane

C17H32O3Si — CID 10979896

IUPACtert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane
SMILESC[C@@H](C#CCCCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-15(20-21(6,7)16(2,3)4)11-9-8-10-12-17(5)18-13-14-19-17/h15H,8,10,12-14H2,1-7H3/t15-/m0/s1
InChIKeyYGQJRGGERNQJLK-HNNXBMFYSA-N
MW312.53 g/mol
LogP4.33
Rot. Bonds5

About tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane

tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane (PubChem CID 10979896) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane
PubChem CID10979896
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Nametert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane
SMILESC[C@@H](C#CCCCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O3Si/c1-15(20-21(6,7)16(2,3)4)11-9-8-10-12-17(5)18-13-14-19-17/h15H,8,10,12-14H2,1-7H3/t15-/m0/s1
InChIKeyYGQJRGGERNQJLK-HNNXBMFYSA-N
XLogP4.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-1-ynyl-trimethylsilane
CID 135009294
tert-butyl-[[(4S,5S)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11196521
tert-butyl-[(3R)-6-[tert-butyl(dimethyl)silyl]-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]hexa-1,5-diyn-3-yl]oxy-dimethylsilane
CID 11293134
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxybut-2-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-yn-1-ol
CID 11317993
tert-butyl-[[(4S,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 11587122
Trimethyl-[6-(2-methyl-1,3-dioxolan-2-yl)hex-2-ynyl]silane
CID 12635434
Trimethyl-[5-(2-methyl-1,3-dioxolan-2-yl)pent-1-ynyl]silane
CID 12635437
tert-butyl-[2-[(4R,5R)-5-ethynyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-dimethylsilane
CID 56595070
(3S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-yn-3-ol
CID 71523919
Trimethyl-[4-[2-(4-trimethylsilylbut-3-ynyl)-1,3-dioxolan-2-yl]but-1-ynyl]silane
CID 71681596
[(3S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-yn-3-yl] acetate
CID 102201982
1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]hept-1-yn-3-ol
CID 102201983

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane (CID 10979896) is tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane is C[C@@H](C#CCCCC1(C)OCCO1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane?
The InChIKey is YGQJRGGERNQJLK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-15(20-21(6,7)16(2,3)4)11-9-8-10-12-17(5)18-13-14-19-17/h15H,8,10,12-14H2,1-7H3/t15-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane?
tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane has a molecular weight of 312.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-7-(2-methyl-1,3-dioxolan-2-yl)hept-3-yn-2-yl]oxysilane is sourced from PubChem (CID 10979896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).