tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane

C16H32OSi2 — CID 23240901

IUPACtert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H32OSi2/c1-16(2,3)19(7,8)17-14-12-10-9-11-13-15-18(4,5)6/h9,11H,10,12,14H2,1-8H3/b11-9+
InChIKeyCNJPOMFRWXCHDD-PKNBQFBNSA-N
MW296.60 g/mol
LogP5.23
Rot. Bonds5

About tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane

tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane (PubChem CID 23240901) has the molecular formula C16H32OSi2 and a molecular weight of 296.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane
PubChem CID23240901
Molecular FormulaC16H32OSi2
Molecular Weight296.60 g/mol
Exact Mass296.20
IUPAC Nametert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H32OSi2/c1-16(2,3)19(7,8)17-14-12-10-9-11-13-15-18(4,5)6/h9,11H,10,12,14H2,1-8H3/b11-9+
InChIKeyCNJPOMFRWXCHDD-PKNBQFBNSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.60
LogP ≤ 55.23
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane (CID 23240901) is tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane is CC(C)(C)[Si](C)(C)OCCC/C=C/C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane?
The InChIKey is CNJPOMFRWXCHDD-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H32OSi2/c1-16(2,3)19(7,8)17-14-12-10-9-11-13-15-18(4,5)6/h9,11H,10,12,14H2,1-8H3/b11-9+.
What are the key properties of tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane?
tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-6-ynoxy]silane has a molecular weight of 296.60 g/mol, XLogP of 5.23, 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)-7-trimethylsilylhept-4-en-6-ynoxy]silane is sourced from PubChem (CID 23240901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).