tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane

C15H28OSi — CID 10243953

IUPACtert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane
SMILESC#CCCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-8-9-10-11-14(2)12-13-16-17(6,7)15(3,4)5/h1,12H,9-11,13H2,2-7H3/b14-12+
InChIKeyKQTDMFMFGKDGOR-WYMLVPIESA-N
MW252.47 g/mol
LogP4.76
Rot. Bonds6

About tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane

tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane (PubChem CID 10243953) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane
PubChem CID10243953
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane
SMILESC#CCCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-8-9-10-11-14(2)12-13-16-17(6,7)15(3,4)5/h1,12H,9-11,13H2,2-7H3/b14-12+
InChIKeyKQTDMFMFGKDGOR-WYMLVPIESA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.76
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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[(E)-hept-2-en-6-ynoxy]-tri(propan-2-yl)silane
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(e)-t-Butyl(dimethyl)(non-3-en-8-yn-1-yloxy)-silane
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tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane (CID 10243953) is tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane is C#CCCC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane?
The InChIKey is KQTDMFMFGKDGOR-WYMLVPIESA-N. The full InChI is InChI=1S/C15H28OSi/c1-8-9-10-11-14(2)12-13-16-17(6,7)15(3,4)5/h1,12H,9-11,13H2,2-7H3/b14-12+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane?
tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane has a molecular weight of 252.47 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E)-3-methyloct-2-en-7-ynoxy]silane is sourced from PubChem (CID 10243953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).