tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane

C15H32O4Si — CID 11231988

IUPACtert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](OCOCCOC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-9-14(18-12-17-11-10-16-6)13(2)19-20(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14+/m0/s1
InChIKeyKUUILRGERKTJEY-UONOGXRCSA-N
MW304.50 g/mol
LogP3.59
Rot. Bonds10

About tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 11231988) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
PubChem CID11231988
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Nametert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](OCOCCOC)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-9-14(18-12-17-11-10-16-6)13(2)19-20(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14+/m0/s1
InChIKeyKUUILRGERKTJEY-UONOGXRCSA-N
XLogP3.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane (CID 11231988) is tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane is C=C[C@@H](OCOCCOC)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is KUUILRGERKTJEY-UONOGXRCSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-9-14(18-12-17-11-10-16-6)13(2)19-20(7,8)15(3,4)5/h9,13-14H,1,10-12H2,2-8H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 304.50 g/mol, XLogP of 3.59, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-3-(2-methoxyethoxymethoxy)pent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11231988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).