(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal

C24H46O4Si — CID 10949974

IUPAC(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal
SMILESCCOC(C)OC/C=C(\C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C24H46O4Si/c1-12-26-22(6)27-14-13-18(2)15-20(4)23(21(5)16-19(3)17-25)28-29(10,11)24(7,8)9/h13,16-17,20-23H,12,14-15H2,1-11H3/b18-13+,19-16+/t20-,21+,22?,23-/m0/s1
InChIKeyXRXZIEXVJBPTIC-ZHTNTTJHSA-N
MW426.71 g/mol
LogP6.53
Rot. Bonds13

About (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal

(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal (PubChem CID 10949974) has the molecular formula C24H46O4Si and a molecular weight of 426.71 g/mol. Its IUPAC name is (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal.

Molecular Properties

Compound Name(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal
PubChem CID10949974
Molecular FormulaC24H46O4Si
Molecular Weight426.71 g/mol
Exact Mass426.32
IUPAC Name(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal
SMILESCCOC(C)OC/C=C(\C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)C=O
InChIInChI=1S/C24H46O4Si/c1-12-26-22(6)27-14-13-18(2)15-20(4)23(21(5)16-19(3)17-25)28-29(10,11)24(7,8)9/h13,16-17,20-23H,12,14-15H2,1-11H3/b18-13+,19-16+/t20-,21+,22?,23-/m0/s1
InChIKeyXRXZIEXVJBPTIC-ZHTNTTJHSA-N
XLogP6.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.71
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E,4R)-4-[(4S,6R)-6-[(E,5R)-5-[tert-butyl(dimethyl)silyl]oxydec-2-en-2-yl]-2,2,5,5-tetramethyl-1,3-dioxan-4-yl]-2-methylpent-2-enal
CID 10874873
(E,2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-8-(1-ethoxyethoxy)-2,4,6-trimethyloct-6-enal
CID 10992687
ethyl (2E,4E,6R,7S,8S,10E)-2,4,6,8,10-pentamethyl-12-oxo-7-triethylsilyloxydodeca-2,4,10-trienoate
CID 11070174
ethyl (E,4R,5S,6S)-8-(methoxymethoxy)-2,4,6-trimethyl-5-triethylsilyloxyoct-2-enoate
CID 11463793
ethyl (2E,4S,6R,8E)-4-[tert-butyl(dimethyl)silyl]oxy-6,9-dimethyl-10-oxodeca-2,8-dienoate
CID 16127170
(2Z,6R,7R,8E,10Z)-6-(methoxymethoxy)-3,7-dimethyl-12-tri(propan-2-yl)silyloxydodeca-2,8,10-trienal
CID 23242993
(2E,4S,5S,6S,7E,9E)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,8-triethyl-5-(methoxymethoxy)-6-methyldodeca-2,7,9-trienal
CID 44155371
(2E,4S,5S,6S,7E,9E,11E)-12-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,10-triethyl-5-(methoxymethoxy)-6,8-dimethyltetradeca-2,7,9,11-tetraenal
CID 54589624
methyl (E,4R,5S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-2-enoate
CID 71540880
(2Z,4S,5R,6S,7E,9E)-10-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,4,8-triethyl-5-(methoxymethoxy)-6-methyldodeca-2,7,9-trienal
CID 177614205

Frequently Asked Questions

What is the IUPAC name of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal?
The IUPAC name of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal (CID 10949974) is (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal.
What is the SMILES notation for (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal?
The canonical SMILES for (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal is CCOC(C)OC/C=C(\C)C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(\C)C=O.
What is the InChIKey of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal?
The InChIKey is XRXZIEXVJBPTIC-ZHTNTTJHSA-N. The full InChI is InChI=1S/C24H46O4Si/c1-12-26-22(6)27-14-13-18(2)15-20(4)23(21(5)16-19(3)17-25)28-29(10,11)24(7,8)9/h13,16-17,20-23H,12,14-15H2,1-11H3/b18-13+,19-16+/t20-,21+,22?,23-/m0/s1.
What are the key properties of (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal?
(2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal has a molecular weight of 426.71 g/mol, XLogP of 6.53, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4R,5S,6S,8E)-5-[tert-butyl(dimethyl)silyl]oxy-10-(1-ethoxyethoxy)-2,4,6,8-tetramethyldeca-2,8-dienal is sourced from PubChem (CID 10949974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).