(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal

C16H30O2Si — CID 11732584

IUPAC(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
SMILESC[C@H](CCC/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(18-19(5,6)16(2,3)4)13-11-9-7-8-10-12-14-17/h7-8,10,12,14-15H,9,11,13H2,1-6H3/b8-7+,12-10+/t15-/m1/s1
InChIKeyWYWICBYHEAUYOO-XRHFDLLDSA-N
MW282.50 g/mol
LogP4.88
Rot. Bonds8

About (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal

(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal (PubChem CID 11732584) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal.

Molecular Properties

Compound Name(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
PubChem CID11732584
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
SMILESC[C@H](CCC/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30O2Si/c1-15(18-19(5,6)16(2,3)4)13-11-9-7-8-10-12-14-17/h7-8,10,12,14-15H,9,11,13H2,1-6H3/b8-7+,12-10+/t15-/m1/s1
InChIKeyWYWICBYHEAUYOO-XRHFDLLDSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.88
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11311065
(2E,4E,6E,8S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-8-methylundeca-2,4,6-trienal
CID 11370282
(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 101493000
(2Z)-2-[(2R,5R)-2-[(Z)-but-2-enyl]-2-tert-butyl-5-propyloxasilolan-3-ylidene]acetaldehyde
CID 134854916
(2E,4E)-8-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 134866852
(2E,4S,7R,8E)-7-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethylundeca-2,8,10-trienal
CID 134949903
(2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-14,16-dimethyl-17-triethylsilyloxyoctadeca-2,4,6,8,10,12-hexaenal
CID 134970409
(2E,5R,7E,10E)-8,10-dimethyl-5-trimethylsilyloxytrideca-2,7,10,12-tetraenal
CID 139255883
(2E)-2-[4-[tert-butyl(dimethyl)silyl]oxycyclohept-2-en-1-ylidene]propanal
CID 102574602
(2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal
CID 14851381
(2E,4E)-5-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal
CID 14851382
(E)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-2-enal
CID 19760587

Frequently Asked Questions

What is the IUPAC name of (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal?
The IUPAC name of (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal (CID 11732584) is (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal.
What is the SMILES notation for (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal?
The canonical SMILES for (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal is C[C@H](CCC/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal?
The InChIKey is WYWICBYHEAUYOO-XRHFDLLDSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-15(18-19(5,6)16(2,3)4)13-11-9-7-8-10-12-14-17/h7-8,10,12,14-15H,9,11,13H2,1-6H3/b8-7+,12-10+/t15-/m1/s1.
What are the key properties of (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal?
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal has a molecular weight of 282.50 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal is sourced from PubChem (CID 11732584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).