tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane

C16H32O2Si — CID 175638923

IUPACtert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)[C@@H]1OCC[C@H]1CC
InChIInChI=1S/C16H32O2Si/c1-8-13-10-11-17-15(13)14(9-2)12-18-19(6,7)16(3,4)5/h9,13-15H,2,8,10-12H2,1,3-7H3/t13-,14?,15-/m1/s1
InChIKeyBBEHBECIVQHVIT-GIJJTGMTSA-N
MW284.52 g/mol
LogP4.63
Rot. Bonds6

About tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane

tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane (PubChem CID 175638923) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane
PubChem CID175638923
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Nametert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane
SMILESC=CC(CO[Si](C)(C)C(C)(C)C)[C@@H]1OCC[C@H]1CC
InChIInChI=1S/C16H32O2Si/c1-8-13-10-11-17-15(13)14(9-2)12-18-19(6,7)16(3,4)5/h9,13-15H,2,8,10-12H2,1,3-7H3/t13-,14?,15-/m1/s1
InChIKeyBBEHBECIVQHVIT-GIJJTGMTSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane (CID 175638923) is tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane is C=CC(CO[Si](C)(C)C(C)(C)C)[C@@H]1OCC[C@H]1CC.
What is the InChIKey of tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane?
The InChIKey is BBEHBECIVQHVIT-GIJJTGMTSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-8-13-10-11-17-15(13)14(9-2)12-18-19(6,7)16(3,4)5/h9,13-15H,2,8,10-12H2,1,3-7H3/t13-,14?,15-/m1/s1.
What are the key properties of tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane?
tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane has a molecular weight of 284.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2R,3R)-3-ethyloxolan-2-yl]but-3-enoxy]-dimethylsilane is sourced from PubChem (CID 175638923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).