tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane

C13H24OSi — CID 57332464

IUPACtert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
SMILESC#CC(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-9-12(10-11(2)3)14-15(7,8)13(4,5)6/h1,10,12H,2-8H3
InChIKeyFIOMDRIJXJRLAA-UHFFFAOYSA-N
MW224.42 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane

tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane (PubChem CID 57332464) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
PubChem CID57332464
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Nametert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane
SMILESC#CC(C=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24OSi/c1-9-12(10-11(2)3)14-15(7,8)13(4,5)6/h1,10,12H,2-8H3
InChIKeyFIOMDRIJXJRLAA-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(Z)-3-methylpent-2-en-4-ynoxy]silane
CID 10262550
tert-butyl-dimethyl-[(E)-3-methylpent-2-en-4-ynoxy]silane
CID 11138386
ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane
CID 11651729
Tert-butyl-dimethyl-(4-methylpent-3-en-2-yloxy)silane
CID 12641480
Tert-butyl-dimethyl-(2-methyloct-2-en-7-yn-4-yloxy)silane
CID 13789160
tert-butyl-dimethyl-[(E)-pent-3-en-2-yl]oxysilane
CID 13869188
tert-butyl-[(E,2S)-2,4-dimethylhex-3-en-5-ynoxy]-dimethylsilane
CID 16079534
tert-butyl-[(E,4R,5R)-3,5-dimethyloct-2-en-6-yn-4-yl]oxy-dimethylsilane
CID 16125838
triethyl-[(E)-3-methyldodec-2-en-5-yn-4-yl]oxysilane
CID 46895233
tert-butyl-[(3Z,5S,7Z)-deca-3,7-dien-1-yn-5-yl]oxy-dimethylsilane
CID 53359090
CID 85846115
CID 85846115
CID 86021218
CID 86021218

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane (CID 57332464) is tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane is C#CC(C=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane?
The InChIKey is FIOMDRIJXJRLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OSi/c1-9-12(10-11(2)3)14-15(7,8)13(4,5)6/h1,10,12H,2-8H3.
What are the key properties of tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane?
tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane has a molecular weight of 224.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(5-methylhex-4-en-1-yn-3-yloxy)silane is sourced from PubChem (CID 57332464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).