[(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane

C18H38OSi — CID 100973090

IUPAC[(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane
SMILESC=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)CC(C)(C)C
InChIInChI=1S/C18H38OSi/c1-11-17(12-18(8,9)10)13-19-20(14(2)3,15(4)5)16(6)7/h11,14-17H,1,12-13H2,2-10H3/t17-/m1/s1
InChIKeyGIABRELESITNKA-QGZVFWFLSA-N
MW298.59 g/mol
LogP6.42
Rot. Bonds8

About [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane

[(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane (PubChem CID 100973090) has the molecular formula C18H38OSi and a molecular weight of 298.59 g/mol. Its IUPAC name is [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane
PubChem CID100973090
Molecular FormulaC18H38OSi
Molecular Weight298.59 g/mol
Exact Mass298.27
IUPAC Name[(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane
SMILESC=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)CC(C)(C)C
InChIInChI=1S/C18H38OSi/c1-11-17(12-18(8,9)10)13-19-20(14(2)3,15(4)5)16(6)7/h11,14-17H,1,12-13H2,2-10H3/t17-/m1/s1
InChIKeyGIABRELESITNKA-QGZVFWFLSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.59
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 11417041
triethyl-[(3S,5S)-2,2,5-trimethyloct-7-en-3-yl]oxysilane
CID 44131621
tert-butyl-[(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-enoxy]-dimethylsilane
CID 102153641
tert-butyl-dimethyl-[(4S)-4-[2-tri(propan-2-yl)silylethynyl]hex-5-enoxy]silane
CID 134966558
tert-butyl-[(2S)-2-ethenyl-2,6-dimethylhept-5-enoxy]-dimethylsilane
CID 24823998
tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane
CID 102323146
Tert-butyl-[[1-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenylcyclopropyl]methoxy]-dimethylsilane
CID 10570286
[(1R)-2,2-dimethyl-1-prop-2-enyl-3-trimethylsilyloxybut-3-enoxy]-triethylsilane
CID 11515682
Tert-butyl-(2,2-dimethyloct-7-enoxy)-dimethylsilane
CID 171079040
tert-butyl-[(E)-4,4-dimethylhept-5-enoxy]-dimethylsilane
CID 174864981
Tert-butyl-(3-tert-butyl-6,6-dimethylhepta-3,4-dienoxy)-dimethylsilane
CID 10380722
tert-butyl-[(2R,3R,4R)-2,4-dimethyl-1-tri(propan-2-yl)silyloxyhex-5-en-3-yl]oxy-dimethylsilane
CID 10525893

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane (CID 100973090) is [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane is C=C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)CC(C)(C)C.
What is the InChIKey of [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane?
The InChIKey is GIABRELESITNKA-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H38OSi/c1-11-17(12-18(8,9)10)13-19-20(14(2)3,15(4)5)16(6)7/h11,14-17H,1,12-13H2,2-10H3/t17-/m1/s1.
What are the key properties of [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane?
[(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane has a molecular weight of 298.59 g/mol, XLogP of 6.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-ethenyl-4,4-dimethylpentoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 100973090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).