tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane

C12H26O2Si — CID 174081229

IUPACtert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane
SMILESCC[C@H]1OCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-10-11(8-9-13-10)14-15(5,6)12(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11?/m1/s1
InChIKeyAYEHDPHSOIAZSQ-NFJWQWPMSA-N
MW230.42 g/mol
LogP3.58
Rot. Bonds3

About tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane (PubChem CID 174081229) has the molecular formula C12H26O2Si and a molecular weight of 230.42 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane
PubChem CID174081229
Molecular FormulaC12H26O2Si
Molecular Weight230.42 g/mol
Exact Mass230.17
IUPAC Nametert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane
SMILESCC[C@H]1OCCC1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O2Si/c1-7-10-11(8-9-13-10)14-15(5,6)12(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11?/m1/s1
InChIKeyAYEHDPHSOIAZSQ-NFJWQWPMSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane (CID 174081229) is tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane is CC[C@H]1OCCC1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane?
The InChIKey is AYEHDPHSOIAZSQ-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H26O2Si/c1-7-10-11(8-9-13-10)14-15(5,6)12(2,3)4/h10-11H,7-9H2,1-6H3/t10-,11?/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane has a molecular weight of 230.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-ethyloxolan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 174081229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).