tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane

C15H32OSi — CID 14215622

IUPACtert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane
SMILESC/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-8-10-11-13-14(12-9-2)16-17(6,7)15(3,4)5/h9,12,14H,8,10-11,13H2,1-7H3/b12-9+/t14-/m1/s1
InChIKeyJHVSVSGFZAEKRE-BRADTZPFSA-N
MW256.51 g/mol
LogP5.53
Rot. Bonds7

About tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane

tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane (PubChem CID 14215622) has the molecular formula C15H32OSi and a molecular weight of 256.51 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane
PubChem CID14215622
Molecular FormulaC15H32OSi
Molecular Weight256.51 g/mol
Exact Mass256.22
IUPAC Nametert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane
SMILESC/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32OSi/c1-8-10-11-13-14(12-9-2)16-17(6,7)15(3,4)5/h9,12,14H,8,10-11,13H2,1-7H3/b12-9+/t14-/m1/s1
InChIKeyJHVSVSGFZAEKRE-BRADTZPFSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.51
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane (CID 14215622) is tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane is C/C=C/[C@H](CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane?
The InChIKey is JHVSVSGFZAEKRE-BRADTZPFSA-N. The full InChI is InChI=1S/C15H32OSi/c1-8-10-11-13-14(12-9-2)16-17(6,7)15(3,4)5/h9,12,14H,8,10-11,13H2,1-7H3/b12-9+/t14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane?
tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane has a molecular weight of 256.51 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,4S)-non-2-en-4-yl]oxysilane is sourced from PubChem (CID 14215622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).