(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal

C17H30O2Si — CID 56649763

IUPAC(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal
SMILESC#CCCC(C=C)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-8-10-12-15(9-2)16(13-11-14-18)19-20(6,7)17(3,4)5/h1,9,14-16H,2,10-13H2,3-7H3/t15?,16-/m1/s1
InChIKeyOFXJRPGHIHRTKX-OEMAIJDKSA-N
MW294.51 g/mol
LogP4.57
Rot. Bonds9

About (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal

(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal (PubChem CID 56649763) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal.

Molecular Properties

Compound Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal
PubChem CID56649763
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal
SMILESC#CCCC(C=C)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30O2Si/c1-8-10-12-15(9-2)16(13-11-14-18)19-20(6,7)17(3,4)5/h1,9,14-16H,2,10-13H2,3-7H3/t15?,16-/m1/s1
InChIKeyOFXJRPGHIHRTKX-OEMAIJDKSA-N
XLogP4.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

(2S,3S)-2-but-3-enyl-3-[tert-butyl(dimethyl)silyl]oxyhept-6-ynal
CID 162406360
(4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynal
CID 10895167
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-ynal
CID 11025994
2-Propyl-4-trimethylsilyloxyhept-6-enal
CID 57136616
2-Ethyl-4-trimethylsilyloxyhept-6-enal
CID 57252947
2-Butyl-4-trimethylsilyloxyhept-6-enal
CID 57299910
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-ynal
CID 87486356
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]hept-6-ynal
CID 91868229
(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oct-7-ynal
CID 91868237
(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylhept-6-ynal
CID 140189155
(4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4-prop-2-enyloct-7-ynal
CID 140189156
(5S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]non-8-ynal
CID 11729860

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal?
The IUPAC name of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal (CID 56649763) is (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal.
What is the SMILES notation for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal?
The canonical SMILES for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal is C#CCCC(C=C)[C@@H](CCC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal?
The InChIKey is OFXJRPGHIHRTKX-OEMAIJDKSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-8-10-12-15(9-2)16(13-11-14-18)19-20(6,7)17(3,4)5/h1,9,14-16H,2,10-13H2,3-7H3/t15?,16-/m1/s1.
What are the key properties of (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal?
(4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal has a molecular weight of 294.51 g/mol, XLogP of 4.57, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-ethenylnon-8-ynal is sourced from PubChem (CID 56649763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).