tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane

C13H24OSi — CID 138982535

IUPACtert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
SMILESC#C/C=C/[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-8-10-11-12(9-2)14-15(6,7)13(3,4)5/h1,10-12H,9H2,2-7H3/b11-10+/t12-/m0/s1
InChIKeyWBTZLCFRQBIRPU-IIANPFDCSA-N
MW224.42 g/mol
LogP3.98
Rot. Bonds4

About tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane (PubChem CID 138982535) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
PubChem CID138982535
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane
SMILESC#C/C=C/[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-8-10-11-12(9-2)14-15(6,7)13(3,4)5/h1,10-12H,9H2,2-7H3/b11-10+/t12-/m0/s1
InChIKeyWBTZLCFRQBIRPU-IIANPFDCSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
Tert-butyl-cyclopent-2-en-1-yloxy-dimethylsilane
CID 9815574
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-[(1S)-cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12445093
tert-butyl-dimethyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxysilane
CID 18396825
tert-butyl-dimethyl-[(E)-pent-2-enoxy]silane
CID 58205919
4-Trimethylsiloxy-1,5-heptadiene
CID 140330532
Trimethyl[(pent-3-en-2-yl)oxy]silane
CID 57043187
2-Trimethylsilyloxyoct-3-ene
CID 5353183
2-Dimethylisopropylsilyloxyoct-3-ene
CID 5353187

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane (CID 138982535) is tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane is C#C/C=C/[C@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane?
The InChIKey is WBTZLCFRQBIRPU-IIANPFDCSA-N. The full InChI is InChI=1S/C13H24OSi/c1-8-10-11-12(9-2)14-15(6,7)13(3,4)5/h1,10-12H,9H2,2-7H3/b11-10+/t12-/m0/s1.
What are the key properties of tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3S)-hept-4-en-6-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 138982535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).