tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane

C14H30OSi — CID 10911719

IUPACtert-butyl-dimethyl-[(E)-oct-2-enoxy]silane
SMILESCCCCC/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h11-12H,7-10,13H2,1-6H3/b12-11+
InChIKeyYQJNOOMVXKCMDA-VAWYXSNFSA-N
MW242.48 g/mol
LogP5.14
Rot. Bonds7

About tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane

tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane (PubChem CID 10911719) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-oct-2-enoxy]silane
PubChem CID10911719
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Nametert-butyl-dimethyl-[(E)-oct-2-enoxy]silane
SMILESCCCCC/C=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h11-12H,7-10,13H2,1-6H3/b12-11+
InChIKeyYQJNOOMVXKCMDA-VAWYXSNFSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.48
LogP ≤ 55.14
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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Related Compounds

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Geraniol, TMS derivative
CID 10998725
Nerol, trimethylsilyl ether
CID 11817006
4-Hexen-1-ol, (4E)-, tert-butyldimethylsilyl ether
CID 15936622
cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
2-Decen-1-ol, (E)-, TMS derivative
CID 14970964
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
(2-Cyclopenten-1-yloxy)(triisopropyl)silane
CID 10977584
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
trans-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 12010767
Silane, trimethyl(2-pentenyloxy)-, (Z)-
CID 58534801
Dimethyl(bis[(2Z)-pent-2-en-1-yloxy])silane
CID 89941326

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane (CID 10911719) is tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane is CCCCC/C=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane?
The InChIKey is YQJNOOMVXKCMDA-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13-15-16(5,6)14(2,3)4/h11-12H,7-10,13H2,1-6H3/b12-11+.
What are the key properties of tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane?
tert-butyl-dimethyl-[(E)-oct-2-enoxy]silane has a molecular weight of 242.48 g/mol, XLogP of 5.14, 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)-oct-2-enoxy]silane is sourced from PubChem (CID 10911719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).