tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane

C16H28OSi2 — CID 14377973

IUPACtert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC#C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H28OSi2/c1-16(2,3)19(7,8)17-14-12-10-9-11-13-15-18(4,5)6/h9,11H,14H2,1-8H3/b11-9+
InChIKeyCLHYRAWNRHPWDJ-PKNBQFBNSA-N
MW292.57 g/mol
LogP4.45
Rot. Bonds2

About tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane

tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane (PubChem CID 14377973) has the molecular formula C16H28OSi2 and a molecular weight of 292.57 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane
PubChem CID14377973
Molecular FormulaC16H28OSi2
Molecular Weight292.57 g/mol
Exact Mass292.17
IUPAC Nametert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCC#C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C16H28OSi2/c1-16(2,3)19(7,8)17-14-12-10-9-11-13-15-18(4,5)6/h9,11H,14H2,1-8H3/b11-9+
InChIKeyCLHYRAWNRHPWDJ-PKNBQFBNSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.57
LogP ≤ 54.45
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

[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane
CID 10726996
trimethyl-[(E)-6-trimethylsilyl(313C)hex-3-en-1,5-diynyl]silane
CID 101015650
(4E,6S,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dien-2,10-diyn-6-ol
CID 134972072
tert-butyl-(5-chloropent-2-ynoxy)-dimethylsilane
CID 57266578
tert-butyl-[4-(chloromethoxy)but-2-ynoxy]-dimethylsilane
CID 14320967
tert-butyl-[(Z)-6-chlorohex-5-en-3-ynoxy]-dimethylsilane
CID 11021150
5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
tert-butyl-dimethyl-(6-trimethylsilylhexa-3,5-diynoxy)silane
CID 71658883
tert-butyl-[(7Z)-11-methoxy-3,3-dimethylundeca-1,7-dien-5,9-diyn-2-yl]oxy-dimethylsilane
CID 10865052
tert-butyl-[(Z)-hex-2-en-4-ynoxy]-dimethylsilane
CID 121012872
tert-butyl-[(Z)-10-chlorodec-9-en-7-ynoxy]-dimethylsilane
CID 87614824
(3S,5S)-10-[tert-butyl(dimethyl)silyl]oxydec-1-en-8-yne-3,5-diol
CID 11472058

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane (CID 14377973) is tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane is CC(C)(C)[Si](C)(C)OCC#C/C=C/C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane?
The InChIKey is CLHYRAWNRHPWDJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C16H28OSi2/c1-16(2,3)19(7,8)17-14-12-10-9-11-13-15-18(4,5)6/h9,11H,14H2,1-8H3/b11-9+.
What are the key properties of tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane?
tert-butyl-dimethyl-[(E)-7-trimethylsilylhept-4-en-2,6-diynoxy]silane has a molecular weight of 292.57 g/mol, XLogP of 4.45, 2 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-2,6-diynoxy]silane is sourced from PubChem (CID 14377973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).