tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane

C18H36OSi2 — CID 11782316

IUPACtert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
SMILESC=CCC(C)(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi2/c1-12-14-18(5,6)16(13-15-20(7,8)9)19-21(10,11)17(2,3)4/h12,16H,1,14H2,2-11H3
InChIKeyMACWDGSYFDNHCC-UHFFFAOYSA-N
MW324.66 g/mol
LogP5.86
Rot. Bonds5

About tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane

tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane (PubChem CID 11782316) has the molecular formula C18H36OSi2 and a molecular weight of 324.66 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
PubChem CID11782316
Molecular FormulaC18H36OSi2
Molecular Weight324.66 g/mol
Exact Mass324.23
IUPAC Nametert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
SMILESC=CCC(C)(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36OSi2/c1-12-14-18(5,6)16(13-15-20(7,8)9)19-21(10,11)17(2,3)4/h12,16H,1,14H2,2-11H3
InChIKeyMACWDGSYFDNHCC-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.66
LogP ≤ 55.86
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-(5,5-dimethyloct-7-en-2-yn-4-yloxy)-dimethylsilane
CID 15317059
[(3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-4-prop-2-enylhept-6-en-1-ynyl]-trimethylsilane
CID 10837963
tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
tert-butyl-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enoxy]-dimethylsilane
CID 101029883
[(3R,4R,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-chlorododec-11-en-1-ynyl]-trimethylsilane
CID 146169806
(2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enenitrile
CID 11687136
tert-butyl-[(3S,4R)-2,4-dimethyloct-7-en-5-yn-3-yl]oxy-dimethylsilane
CID 101168213
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-trimethylsilylpent-1-yn-3-ol
CID 102314561
[(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-iodohexa-1,5-diynyl]-trimethylsilane
CID 11628015
tert-butyl-[(4S,7R)-4-[tert-butyl(dimethyl)silyl]oxyhenicos-1-en-7-yl]oxy-dimethylsilane
CID 11215040
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enenitrile
CID 134895955
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane (CID 11782316) is tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane is C=CCC(C)(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane?
The InChIKey is MACWDGSYFDNHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36OSi2/c1-12-14-18(5,6)16(13-15-20(7,8)9)19-21(10,11)17(2,3)4/h12,16H,1,14H2,2-11H3.
What are the key properties of tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane?
tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane has a molecular weight of 324.66 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dimethyl-1-trimethylsilylhept-6-en-1-yn-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 11782316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).