tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane

C26H34O2Si — CID 53375456

IUPACtert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
SMILESC#C[C@H](CC/C=C(/C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C26H34O2Si/c1-7-23(27-6)16-14-15-22(2)21-28-29(26(3,4)5,24-17-10-8-11-18-24)25-19-12-9-13-20-25/h1,8-13,15,17-20,23H,14,16,21H2,2-6H3/b22-15-/t23-/m1/s1
InChIKeyQFMNQTVULPUVSO-UAPYWLNTSA-N
MW406.64 g/mol
LogP4.94
Rot. Bonds9

About tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane

tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane (PubChem CID 53375456) has the molecular formula C26H34O2Si and a molecular weight of 406.64 g/mol. Its IUPAC name is tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
PubChem CID53375456
Molecular FormulaC26H34O2Si
Molecular Weight406.64 g/mol
Exact Mass406.23
IUPAC Nametert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
SMILESC#C[C@H](CC/C=C(/C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC
InChIInChI=1S/C26H34O2Si/c1-7-23(27-6)16-14-15-22(2)21-28-29(26(3,4)5,24-17-10-8-11-18-24)25-19-12-9-13-20-25/h1,8-13,15,17-20,23H,14,16,21H2,2-6H3/b22-15-/t23-/m1/s1
InChIKeyQFMNQTVULPUVSO-UAPYWLNTSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.64
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate
CID 175564241
6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 70299743
(3R,5R)-1,5-bis[[tert-butyl(diphenyl)silyl]oxy]hept-6-yn-3-ol
CID 11342574
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
tert-butyl-(3-fluoropent-4-ynoxy)-diphenylsilane
CID 122215628
(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
CID 24773167
(E,2S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-3-en-2-ol
CID 44542246

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane (CID 53375456) is tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane is C#C[C@H](CC/C=C(/C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC.
What is the InChIKey of tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane?
The InChIKey is QFMNQTVULPUVSO-UAPYWLNTSA-N. The full InChI is InChI=1S/C26H34O2Si/c1-7-23(27-6)16-14-15-22(2)21-28-29(26(3,4)5,24-17-10-8-11-18-24)25-19-12-9-13-20-25/h1,8-13,15,17-20,23H,14,16,21H2,2-6H3/b22-15-/t23-/m1/s1.
What are the key properties of tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane?
tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane has a molecular weight of 406.64 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane is sourced from PubChem (CID 53375456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).