tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane

C14H26OSi — CID 11806718

IUPACtert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane
SMILESC#CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-8-9-10-13(2)11-12-15-16(6,7)14(3,4)5/h1,11H,9-10,12H2,2-7H3/b13-11+
InChIKeyYATCZLXBKIOOMS-ACCUITESSA-N
MW238.45 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane

tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane (PubChem CID 11806718) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane
PubChem CID11806718
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane
SMILESC#CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-8-9-10-13(2)11-12-15-16(6,7)14(3,4)5/h1,11H,9-10,12H2,2-7H3/b13-11+
InChIKeyYATCZLXBKIOOMS-ACCUITESSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.37
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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Geraniol, TMS derivative
CID 10998725
Nerol, trimethylsilyl ether
CID 11817006
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
CID 5387051
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
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
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11472396
ethynyl-[(3R,4E)-4-methylhexa-1,4-dien-3-yl]oxy-di(propan-2-yl)silane
CID 11651729
Tert-butyl-dimethyl-(2-methyloct-2-en-7-yn-4-yloxy)silane
CID 13789160

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane (CID 11806718) is tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane is C#CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane?
The InChIKey is YATCZLXBKIOOMS-ACCUITESSA-N. The full InChI is InChI=1S/C14H26OSi/c1-8-9-10-13(2)11-12-15-16(6,7)14(3,4)5/h1,11H,9-10,12H2,2-7H3/b13-11+.
What are the key properties of tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane?
tert-butyl-dimethyl-[(E)-3-methylhept-2-en-6-ynoxy]silane has a molecular weight of 238.45 g/mol, XLogP of 4.37, 5 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-methylhept-2-en-6-ynoxy]silane is sourced from PubChem (CID 11806718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).