(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol

C25H32O2Si — CID 11303939

IUPAC(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol
SMILESC#CC[C@H](O)/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O2Si/c1-5-15-22(26)16-9-8-14-21-27-28(25(2,3)4,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h1,6-7,9-13,16-20,22,26H,8,14-15,21H2,2-4H3/b16-9+/t22-/m0/s1
InChIKeyMFQIFMKLDAQLJB-NAVGAYGYSA-N
MW392.62 g/mol
LogP4.28
Rot. Bonds9

About (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol

(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol (PubChem CID 11303939) has the molecular formula C25H32O2Si and a molecular weight of 392.62 g/mol. Its IUPAC name is (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol.

Molecular Properties

Compound Name(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol
PubChem CID11303939
Molecular FormulaC25H32O2Si
Molecular Weight392.62 g/mol
Exact Mass392.22
IUPAC Name(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol
SMILESC#CC[C@H](O)/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H32O2Si/c1-5-15-22(26)16-9-8-14-21-27-28(25(2,3)4,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h1,6-7,9-13,16-20,22,26H,8,14-15,21H2,2-4H3/b16-9+/t22-/m0/s1
InChIKeyMFQIFMKLDAQLJB-NAVGAYGYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
tert-butyl-(6-chlorohex-4-enoxy)-diphenylsilane
CID 71404440
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
(E)-1,12-bis[[tert-butyl(diphenyl)silyl]oxy]dodec-4-en-6-one
CID 102464729
(Z)-11-[tert-butyl(diphenyl)silyl]oxyundec-5-en-1-ol
CID 90098390
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
(E,5R,6S)-1-[tert-butyl(diphenyl)silyl]oxytridec-3-en-7-yne-5,6-diol
CID 135030913
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631
(E,2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-7-[tert-butyl(diphenyl)silyl]oxyhept-4-en-3-ol
CID 102257239
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
(E,2R)-5-[tert-butyl(diphenyl)silyl]oxypent-3-en-2-ol
CID 25223642
[(E,6S,7R,9R)-1-[tert-butyl(diphenyl)silyl]oxy-9-methyl-7-(oxan-2-yloxy)dodec-4-en-11-yn-6-yl] acetate
CID 11828074

Frequently Asked Questions

What is the IUPAC name of (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol?
The IUPAC name of (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol (CID 11303939) is (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol.
What is the SMILES notation for (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol?
The canonical SMILES for (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol is C#CC[C@H](O)/C=C/CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol?
The InChIKey is MFQIFMKLDAQLJB-NAVGAYGYSA-N. The full InChI is InChI=1S/C25H32O2Si/c1-5-15-22(26)16-9-8-14-21-27-28(25(2,3)4,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h1,6-7,9-13,16-20,22,26H,8,14-15,21H2,2-4H3/b16-9+/t22-/m0/s1.
What are the key properties of (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol?
(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol has a molecular weight of 392.62 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol is sourced from PubChem (CID 11303939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).