tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane

C28H36O2Si2 — CID 102380302

IUPACtert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane
SMILESC#C/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)OC
InChIInChI=1S/C28H36O2Si2/c1-9-24(27(29-5)21-23-31(6,7)8)20-22-30-32(28(2,3)4,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h1,10-20,27H,22H2,2-8H3/b24-20-/t27-/m1/s1
InChIKeyLPKDCYXHZAFSAW-HNMPSHKWSA-N
MW460.77 g/mol
LogP5.02
Rot. Bonds7

About tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane

tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane (PubChem CID 102380302) has the molecular formula C28H36O2Si2 and a molecular weight of 460.77 g/mol. Its IUPAC name is tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane
PubChem CID102380302
Molecular FormulaC28H36O2Si2
Molecular Weight460.77 g/mol
Exact Mass460.23
IUPAC Nametert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane
SMILESC#C/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)OC
InChIInChI=1S/C28H36O2Si2/c1-9-24(27(29-5)21-23-31(6,7)8)20-22-30-32(28(2,3)4,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h1,10-20,27H,22H2,2-8H3/b24-20-/t27-/m1/s1
InChIKeyLPKDCYXHZAFSAW-HNMPSHKWSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.77
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-diphenyl-[(2E,5S,6Z)-3,5,7-trimethylnona-2,6-dien-8-ynoxy]silane
CID 11362057
(2E)-1-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 25068244
4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-en-1-ol
CID 66982894
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
(E)-4-[tert-butyl(diphenyl)silyl]oxy-2-formylbut-2-enenitrile
CID 134889501
tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
CID 53375456
(3R)-7-[tert-butyl(diphenyl)silyl]oxy-1,1-dimethoxyhept-4-yn-3-ol
CID 24795141
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
(E,2S)-5-[tert-butyl(diphenyl)silyl]oxy-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-ol
CID 56600016
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
tert-butyl-[(E)-5-[(2R)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-enoxy]-diphenylsilane
CID 100941395
tert-butyl-[(2E,6Z)-7-methoxy-3-methylhepta-2,6-dienoxy]-diphenylsilane
CID 10763220

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane (CID 102380302) is tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane is C#C/C(=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C#C[Si](C)(C)C)OC.
What is the InChIKey of tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane?
The InChIKey is LPKDCYXHZAFSAW-HNMPSHKWSA-N. The full InChI is InChI=1S/C28H36O2Si2/c1-9-24(27(29-5)21-23-31(6,7)8)20-22-30-32(28(2,3)4,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h1,10-20,27H,22H2,2-8H3/b24-20-/t27-/m1/s1.
What are the key properties of tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane?
tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane has a molecular weight of 460.77 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z,4S)-3-ethynyl-4-methoxy-6-trimethylsilylhex-2-en-5-ynoxy]-diphenylsilane is sourced from PubChem (CID 102380302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).