tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane

C24H38O2Si2 — CID 11223738

IUPACtert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane
SMILESC[C@@H](C#CC#CC#CC#C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H38O2Si2/c1-21(25-27(9,10)23(3,4)5)19-17-15-13-14-16-18-20-22(2)26-28(11,12)24(6,7)8/h21-22H,1-12H3/t21-,22-/m0/s1
InChIKeyKMYJWKAXELRSIA-VXKWHMMOSA-N
MW414.74 g/mol
LogP5.82
Rot. Bonds4

About tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane (PubChem CID 11223738) has the molecular formula C24H38O2Si2 and a molecular weight of 414.74 g/mol. Its IUPAC name is tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane
PubChem CID11223738
Molecular FormulaC24H38O2Si2
Molecular Weight414.74 g/mol
Exact Mass414.24
IUPAC Nametert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane
SMILESC[C@@H](C#CC#CC#CC#C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H38O2Si2/c1-21(25-27(9,10)23(3,4)5)19-17-15-13-14-16-18-20-22(2)26-28(11,12)24(6,7)8/h21-22H,1-12H3/t21-,22-/m0/s1
InChIKeyKMYJWKAXELRSIA-VXKWHMMOSA-N
XLogP5.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.74
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-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-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane
CID 100936531
lithium tert-butyl-[(2S)-but-3-yn-2-yl]oxy-dimethylsilane
CID 10867151
CID 11135215
CID 11135215
1-[tert-butyl(dimethyl)silyl]oxyethanol
CID 22038232
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-12,12-dimethoxydodec-3-yn-6-ol
CID 10894040
3-[tert-butyl(dimethyl)silyl]oxybutan-2-amine
CID 19432382
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048
butan-2-yloxy-tert-butyl-dimethylsilane;methane
CID 158755840
tert-butyl-(1-cyclopropylethoxy)-dimethylsilane
CID 22391705
(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
CID 11747133

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane (CID 11223738) is tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane is C[C@@H](C#CC#CC#CC#C[C@H](C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane?
The InChIKey is KMYJWKAXELRSIA-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H38O2Si2/c1-21(25-27(9,10)23(3,4)5)19-17-15-13-14-16-18-20-22(2)26-28(11,12)24(6,7)8/h21-22H,1-12H3/t21-,22-/m0/s1.
What are the key properties of tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane has a molecular weight of 414.74 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11223738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).