(2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal

C18H30O2Si — CID 14851381

IUPAC(2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC=CC[C@@H]1/C=C/C=C/C=O
InChIInChI=1S/C18H30O2Si/c1-18(2,3)21(4,5)20-15-17-13-9-8-12-16(17)11-7-6-10-14-19/h6-11,14,16-17H,12-13,15H2,1-5H3/b10-6+,11-7+/t16-,17-/m0/s1
InChIKeyBUOYIXVOMIIIMS-XELROBEESA-N
MW306.52 g/mol
LogP4.90
Rot. Bonds6

About (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal

(2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal (PubChem CID 14851381) has the molecular formula C18H30O2Si and a molecular weight of 306.52 g/mol. Its IUPAC name is (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal
PubChem CID14851381
Molecular FormulaC18H30O2Si
Molecular Weight306.52 g/mol
Exact Mass306.20
IUPAC Name(2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal
SMILESCC(C)(C)[Si](C)(C)OC[C@@H]1CC=CC[C@@H]1/C=C/C=C/C=O
InChIInChI=1S/C18H30O2Si/c1-18(2,3)21(4,5)20-15-17-13-9-8-12-16(17)11-7-6-10-14-19/h6-11,14,16-17H,12-13,15H2,1-5H3/b10-6+,11-7+/t16-,17-/m0/s1
InChIKeyBUOYIXVOMIIIMS-XELROBEESA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.90
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
CID 11732584
(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,4E)-5-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal
CID 14851382
(2E,4E)-5-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dienal
CID 14851423
5-[(1R,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal
CID 53702030
5-[(1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal
CID 53702031
5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]penta-2,4-dienal
CID 53974942
5-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dienal
CID 54323433
5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dienal
CID 54323434
(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]penta-2,4-dienal
CID 88418773
(2E,4E)-5-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]penta-2,4-dienal
CID 88453892
(2E,4E)-5-[(1S,6S)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal
CID 88454513

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal?
The IUPAC name of (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal (CID 14851381) is (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal.
What is the SMILES notation for (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal?
The canonical SMILES for (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal is CC(C)(C)[Si](C)(C)OC[C@@H]1CC=CC[C@@H]1/C=C/C=C/C=O.
What is the InChIKey of (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal?
The InChIKey is BUOYIXVOMIIIMS-XELROBEESA-N. The full InChI is InChI=1S/C18H30O2Si/c1-18(2,3)21(4,5)20-15-17-13-9-8-12-16(17)11-7-6-10-14-19/h6-11,14,16-17H,12-13,15H2,1-5H3/b10-6+,11-7+/t16-,17-/m0/s1.
What are the key properties of (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal?
(2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal has a molecular weight of 306.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[(1R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]penta-2,4-dienal is sourced from PubChem (CID 14851381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).