(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal

C16H30O2Si — CID 146161663

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
SMILESC=CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)C=O
InChIInChI=1S/C16H30O2Si/c1-8-10-11-12-15(14(9-2)13-17)18-19(6,7)16(3,4)5/h8-9,13-15H,1-2,10-12H2,3-7H3/t14-,15-/m1/s1
InChIKeyFVNISAQMVQNUMV-HUUCEWRRSA-N
MW282.50 g/mol
LogP4.73
Rot. Bonds9

About (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal (PubChem CID 146161663) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
PubChem CID146161663
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal
SMILESC=CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)C=O
InChIInChI=1S/C16H30O2Si/c1-8-10-11-12-15(14(9-2)13-17)18-19(6,7)16(3,4)5/h8-9,13-15H,1-2,10-12H2,3-7H3/t14-,15-/m1/s1
InChIKeyFVNISAQMVQNUMV-HUUCEWRRSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.73
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylheptanal
CID 134992611
(3S,6R)-6-methyl-5-methylidene-3-triethylsilyloxy-7-tri(propan-2-yl)silyloxyheptanal
CID 10917221
(2S,3R)-2-methyl-3-tri(propan-2-yl)silyloxyhept-6-enal
CID 10968548
(3R,7R)-3-methyl-7-triethylsilyloxydec-1-en-5-one
CID 53328469
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
CID 102111757
(2S,3R)-2-methyl-3-triethylsilyloxyoct-7-enal
CID 134854809
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(2S,3S,4S,6E)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-6,8-dienal
CID 135013444
(2S,3R)-2-methyl-3-triethylsilyloxyhex-5-enal
CID 135041296
(2R,3R,4R)-2,4-dimethyl-3-triethylsilyloxyhex-5-enal
CID 138979488
(1R)-1-[(1R,2R)-2-methylcyclopropyl]-1-triethylsilyloxyhex-5-en-3-one
CID 145945167
CID 145945194
CID 145945194

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal (CID 146161663) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal is C=CCCC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C=C)C=O.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal?
The InChIKey is FVNISAQMVQNUMV-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-8-10-11-12-15(14(9-2)13-17)18-19(6,7)16(3,4)5/h8-9,13-15H,1-2,10-12H2,3-7H3/t14-,15-/m1/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal has a molecular weight of 282.50 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyloct-7-enal is sourced from PubChem (CID 146161663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).