tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane

C22H42OSi — CID 101400103

IUPACtert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane
SMILESC=C(C)[C@H](C)[C@@](C)(C#CCCCCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42OSi/c1-11-12-13-14-15-16-17-22(8,20(4)19(2)3)18-23-24(9,10)21(5,6)7/h20H,2,11-15,18H2,1,3-10H3/t20-,22-/m0/s1
InChIKeyNBNFXGPVMUZILS-UNMCSNQZSA-N
MW350.66 g/mol
LogP7.20
Rot. Bonds9

About tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane

tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane (PubChem CID 101400103) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane
PubChem CID101400103
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Nametert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane
SMILESC=C(C)[C@H](C)[C@@](C)(C#CCCCCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H42OSi/c1-11-12-13-14-15-16-17-22(8,20(4)19(2)3)18-23-24(9,10)21(5,6)7/h20H,2,11-15,18H2,1,3-10H3/t20-,22-/m0/s1
InChIKeyNBNFXGPVMUZILS-UNMCSNQZSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane with MolForge

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Launch Full Analysis

Related Compounds

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CID 58215527
[(3S,5R)-2,5-dimethyloct-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
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tert-butyl-dimethyl-[(3S)-3-prop-1-en-2-ylhept-6-ynoxy]silane
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2,3-Dimethylbutan-2-yl-dimethyl-(2,2,4-trimethylpent-4-enoxy)silane
CID 10901697
Tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane
CID 11000465
Tert-butyl-dimethyl-(2,5,5-trimethyloct-1-en-7-yn-4-yloxy)silane
CID 11011416
Tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane
CID 11108315
tert-butyl-dimethyl-[(2S)-5-methyl-2-propan-2-ylhex-5-enoxy]silane
CID 11140203
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane
CID 11561264
tert-butyl-[(5R)-2-ethenylidene-5-prop-1-en-2-ylnon-7-ynoxy]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane (CID 101400103) is tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane is C=C(C)[C@H](C)[C@@](C)(C#CCCCCCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane?
The InChIKey is NBNFXGPVMUZILS-UNMCSNQZSA-N. The full InChI is InChI=1S/C22H42OSi/c1-11-12-13-14-15-16-17-22(8,20(4)19(2)3)18-23-24(9,10)21(5,6)7/h20H,2,11-15,18H2,1,3-10H3/t20-,22-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane?
tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane has a molecular weight of 350.66 g/mol, XLogP of 7.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane is sourced from PubChem (CID 101400103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).