(6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal

C17H34O2Si2 — CID 25034379

IUPAC(6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#C[Si](C)(C)C)CCCCC=O
InChIInChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-16(12-10-9-11-14-18)13-15-20(4,5)6/h14,16H,9-12H2,1-8H3/t16-/m0/s1
InChIKeyXZJIOFWPIDWXKK-INIZCTEOSA-N
MW326.63 g/mol
LogP5.02
Rot. Bonds7

About (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal

(6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal (PubChem CID 25034379) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal.

Molecular Properties

Compound Name(6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal
PubChem CID25034379
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Name(6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal
SMILESCC(C)(C)[Si](C)(C)O[C@H](C#C[Si](C)(C)C)CCCCC=O
InChIInChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-16(12-10-9-11-14-18)13-15-20(4,5)6/h14,16H,9-12H2,1-8H3/t16-/m0/s1
InChIKeyXZJIOFWPIDWXKK-INIZCTEOSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[Ditert-butyl(oct-1-ynyl)silyl]oxyhexanal
CID 10808929
(3S)-3-[tert-butyl(dimethyl)silyl]oxytetradec-13-ynal
CID 139251426
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]tridec-7-yn-6-one
CID 11236388
(2S,10S)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,5,5-tetradeuteriotridec-7-yn-6-one
CID 11340103
2,10-Bis[[tert-butyl(dimethyl)silyl]oxy]-7,7,8,8-tetradeuterioundec-4-yn-6-one
CID 11430356
(2S)-2-{[Tri(propan-2-yl)silyl]oxy}heptanal
CID 15259574
2,11-Bis[[tert-butyl(dimethyl)silyl]oxy]dodec-4-yn-6-one
CID 16116684
2,11-Bis[[tert-butyl(dimethyl)silyl]oxy]tridec-4-yn-6-one
CID 16116685
8-[Tert-butyl(dimethyl)silyl]oxytetradecanal
CID 21849324
8-[Tert-butyl(dimethyl)silyl]oxyhexadecanal
CID 72301343
8(S)-(t-butyldimethylsilyloxy)hexadecanal
CID 86644252
(4R)-4-[tert-butyl(dimethyl)silyl]oxynonanal
CID 87228638

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal?
The IUPAC name of (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal (CID 25034379) is (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal.
What is the SMILES notation for (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal?
The canonical SMILES for (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal is CC(C)(C)[Si](C)(C)O[C@H](C#C[Si](C)(C)C)CCCCC=O.
What is the InChIKey of (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal?
The InChIKey is XZJIOFWPIDWXKK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-17(2,3)21(7,8)19-16(12-10-9-11-14-18)13-15-20(4,5)6/h14,16H,9-12H2,1-8H3/t16-/m0/s1.
What are the key properties of (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal?
(6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal has a molecular weight of 326.63 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 (6S)-6-[tert-butyl(dimethyl)silyl]oxy-8-trimethylsilyloct-7-ynal is sourced from PubChem (CID 25034379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).