tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane

C18H32OSi — CID 134860931

IUPACtert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane
SMILESC#CCCC#CCC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32OSi/c1-8-9-10-11-12-13-14-17(2)15-16-19-20(6,7)18(3,4)5/h1,17H,9-10,13-16H2,2-7H3/t17-/m0/s1
InChIKeyUBQGACZOYRUIKJ-KRWDZBQOSA-N
MW292.54 g/mol
LogP5.23
Rot. Bonds7

About tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane

tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane (PubChem CID 134860931) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane
PubChem CID134860931
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane
SMILESC#CCCC#CCC[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H32OSi/c1-8-9-10-11-12-13-14-17(2)15-16-19-20(6,7)18(3,4)5/h1,17H,9-10,13-16H2,2-7H3/t17-/m0/s1
InChIKeyUBQGACZOYRUIKJ-KRWDZBQOSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
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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Related Compounds

2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
Silane, diethyl(dodec-9-ynyloxy)isohexyloxy-
CID 91737493
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)hexyloxy-
CID 91737718
Silane, diethylbutoxy(2-ethylhexyloxy)-
CID 91739206
Silane, diethyl(2-ethylhexyloxy)pentyloxy-
CID 91740267
Silane, diethyl(2-ethylhexyloxy)isohexyloxy-
CID 91741054
Silane, diethyl(2-ethylhexyloxy)hexyloxy-
CID 91741068
tert-butyl-dimethyl-[(3S)-3-methylhept-6-ynoxy]silane
CID 10705243
[(2S)-2-methylhex-5-ynoxy]-tri(propan-2-yl)silane
CID 11402942
Tert-butyl-dimethyl-(2-methylhept-6-ynoxy)silane
CID 72961047
Tert-butyl-(5-cyclohexylpent-4-ynoxy)-dimethylsilane
CID 85746781
tert-butyl-dimethyl-[(3S)-3-methyldodeca-6,10-diynoxy]silane
CID 134844756

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane (CID 134860931) is tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane is C#CCCC#CCC[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane?
The InChIKey is UBQGACZOYRUIKJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H32OSi/c1-8-9-10-11-12-13-14-17(2)15-16-19-20(6,7)18(3,4)5/h1,17H,9-10,13-16H2,2-7H3/t17-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane?
tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane has a molecular weight of 292.54 g/mol, XLogP of 5.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-3-methylundeca-6,10-diynoxy]silane is sourced from PubChem (CID 134860931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).