tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane

C18H32OSi — CID 11119907

IUPACtert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane
SMILESC#C/C(C)=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=C
InChIInChI=1S/C18H32OSi/c1-11-14(3)13-16(5)17(15(4)12-2)19-20(9,10)18(6,7)8/h1,12-13,15-17H,2H2,3-10H3/b14-13+/t15-,16+,17-/m1/s1
InChIKeyAVXCSBSMYJDJSA-IEIGRNHOSA-N
MW292.54 g/mol
LogP5.41
Rot. Bonds6

About tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane (PubChem CID 11119907) has the molecular formula C18H32OSi and a molecular weight of 292.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane
PubChem CID11119907
Molecular FormulaC18H32OSi
Molecular Weight292.54 g/mol
Exact Mass292.22
IUPAC Nametert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane
SMILESC#C/C(C)=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=C
InChIInChI=1S/C18H32OSi/c1-11-14(3)13-16(5)17(15(4)12-2)19-20(9,10)18(6,7)8/h1,12-13,15-17H,2H2,3-10H3/b14-13+/t15-,16+,17-/m1/s1
InChIKeyAVXCSBSMYJDJSA-IEIGRNHOSA-N
XLogP5.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.54
LogP ≤ 55.41
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane (CID 11119907) is tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane is C#C/C(C)=C/[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C=C.
What is the InChIKey of tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane?
The InChIKey is AVXCSBSMYJDJSA-IEIGRNHOSA-N. The full InChI is InChI=1S/C18H32OSi/c1-11-14(3)13-16(5)17(15(4)12-2)19-20(9,10)18(6,7)8/h1,12-13,15-17H,2H2,3-10H3/b14-13+/t15-,16+,17-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane has a molecular weight of 292.54 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,4R,5S,6E)-3,5,7-trimethylnona-1,6-dien-8-yn-4-yl]oxysilane is sourced from PubChem (CID 11119907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).