tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane

C16H32O4Si — CID 15657489

IUPACtert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
SMILESCOCOC[C@H]1O[C@@](C)(CO[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C16H32O4Si/c1-13-9-16(5,20-14(13)10-18-12-17-6)11-19-21(7,8)15(2,3)4/h9,14H,10-12H2,1-8H3/t14-,16-/m1/s1
InChIKeyWWRBHMZDPKBOOJ-GDBMZVCRSA-N
MW316.51 g/mol
LogP3.73
Rot. Bonds7

About tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane

tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane (PubChem CID 15657489) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
PubChem CID15657489
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Nametert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane
SMILESCOCOC[C@H]1O[C@@](C)(CO[Si](C)(C)C(C)(C)C)C=C1C
InChIInChI=1S/C16H32O4Si/c1-13-9-16(5,20-14(13)10-18-12-17-6)11-19-21(7,8)15(2,3)4/h9,14H,10-12H2,1-8H3/t14-,16-/m1/s1
InChIKeyWWRBHMZDPKBOOJ-GDBMZVCRSA-N
XLogP3.73
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.73
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,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane (CID 15657489) is tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane is COCOC[C@H]1O[C@@](C)(CO[Si](C)(C)C(C)(C)C)C=C1C.
What is the InChIKey of tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane?
The InChIKey is WWRBHMZDPKBOOJ-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-13-9-16(5,20-14(13)10-18-12-17-6)11-19-21(7,8)15(2,3)4/h9,14H,10-12H2,1-8H3/t14-,16-/m1/s1.
What are the key properties of tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane?
tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane has a molecular weight of 316.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,5R)-2-(methoxymethoxymethyl)-3,5-dimethyl-2H-furan-5-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 15657489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).