tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane

C14H28O2Si — CID 10858107

IUPACtert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1OCCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-12-13(10-8-9-11-15-12)16-17(5,6)14(2,3)4/h7,12-13H,1,8-11H2,2-6H3/t12-,13+/m1/s1
InChIKeyQKEMRJGECLXLRK-OLZOCXBDSA-N
MW256.46 g/mol
LogP4.13
Rot. Bonds3

About tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane (PubChem CID 10858107) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane
PubChem CID10858107
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane
SMILESC=C[C@H]1OCCCC[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-7-12-13(10-8-9-11-15-12)16-17(5,6)14(2,3)4/h7,12-13H,1,8-11H2,2-6H3/t12-,13+/m1/s1
InChIKeyQKEMRJGECLXLRK-OLZOCXBDSA-N
XLogP4.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.13
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-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane (CID 10858107) is tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane is C=C[C@H]1OCCCC[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane?
The InChIKey is QKEMRJGECLXLRK-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-7-12-13(10-8-9-11-15-12)16-17(5,6)14(2,3)4/h7,12-13H,1,8-11H2,2-6H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S)-2-ethenyloxepan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10858107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).