tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane

C24H30OSi — CID 10713704

IUPACtert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane
SMILESC#C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)/C=C/C
InChIInChI=1S/C24H30OSi/c1-7-15-20(3)23(8-2)25-26(24(4,5)6,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h2,7,9-20,23H,1,3-6H3/b15-7+/t20-,23+/m1/s1
InChIKeySRZJISSXBNMOGB-DSVVGZGVSA-N
MW362.59 g/mol
LogP4.78
Rot. Bonds6

About tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane

tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane (PubChem CID 10713704) has the molecular formula C24H30OSi and a molecular weight of 362.59 g/mol. Its IUPAC name is tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane
PubChem CID10713704
Molecular FormulaC24H30OSi
Molecular Weight362.59 g/mol
Exact Mass362.21
IUPAC Nametert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane
SMILESC#C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)/C=C/C
InChIInChI=1S/C24H30OSi/c1-7-15-20(3)23(8-2)25-26(24(4,5)6,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h2,7,9-20,23H,1,3-6H3/b15-7+/t20-,23+/m1/s1
InChIKeySRZJISSXBNMOGB-DSVVGZGVSA-N
XLogP4.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.59
LogP ≤ 54.78
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-[(2S)-pent-4-yn-2-yl]oxy-diphenylsilane
CID 59466777
tert-butyl-[(2Z,7Z)-nona-2,7-dien-5-yl]oxy-diphenylsilane
CID 58139640
(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanal
CID 10936306
tert-butyl-diphenyl-(5-phenylpent-1-yn-3-yloxy)silane
CID 135013582
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2-methylideneoct-6-enal
CID 5375585
(2E,4E,7S)-7-[tert-butyl(diphenyl)silyl]oxynona-2,4-dien-8-yn-1-ol
CID 99772953
tert-butyl-[(E)-1,3-diphenylprop-2-enoxy]-diphenylsilane
CID 135009658
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
propan-2-yl (E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-oxooct-6-enoate
CID 101273818
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane?
The IUPAC name of tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane (CID 10713704) is tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane?
The canonical SMILES for tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane is C#C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H](C)/C=C/C.
What is the InChIKey of tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane?
The InChIKey is SRZJISSXBNMOGB-DSVVGZGVSA-N. The full InChI is InChI=1S/C24H30OSi/c1-7-15-20(3)23(8-2)25-26(24(4,5)6,21-16-11-9-12-17-21)22-18-13-10-14-19-22/h2,7,9-20,23H,1,3-6H3/b15-7+/t20-,23+/m1/s1.
What are the key properties of tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane?
tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane has a molecular weight of 362.59 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,3R,4R)-4-methylhept-5-en-1-yn-3-yl]oxy-diphenylsilane is sourced from PubChem (CID 10713704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).