(2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal

C24H48O3Si2 — CID 135036509

IUPAC(2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal
SMILESC/C(C=O)=C/[C@@H](C)[C@H](/C=C(\C)CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O3Si2/c1-19(14-15-26-28(10,11)23(4,5)6)17-22(21(3)16-20(2)18-25)27-29(12,13)24(7,8)9/h16-18,21-22H,14-15H2,1-13H3/b19-17+,20-16-/t21-,22+/m1/s1
InChIKeyJHNKAVDATYOXMK-PMFORXRLSA-N
MW440.82 g/mol
LogP7.52
Rot. Bonds10

About (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal

(2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal (PubChem CID 135036509) has the molecular formula C24H48O3Si2 and a molecular weight of 440.82 g/mol. Its IUPAC name is (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal.

Molecular Properties

Compound Name(2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal
PubChem CID135036509
Molecular FormulaC24H48O3Si2
Molecular Weight440.82 g/mol
Exact Mass440.31
IUPAC Name(2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal
SMILESC/C(C=O)=C/[C@@H](C)[C@H](/C=C(\C)CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O3Si2/c1-19(14-15-26-28(10,11)23(4,5)6)17-22(21(3)16-20(2)18-25)27-29(12,13)24(7,8)9/h16-18,21-22H,14-15H2,1-13H3/b19-17+,20-16-/t21-,22+/m1/s1
InChIKeyJHNKAVDATYOXMK-PMFORXRLSA-N
XLogP7.52
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.82
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-2-enal
CID 10901261
(E,5R,6R)-6,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5-dimethylhept-3-en-2-one
CID 10927504
(2E,4R,5R,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylocta-2,6-dienal
CID 11572961
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-2-enal
CID 14808077
(E,4R,5S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylhept-2-enal
CID 16732549
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylhex-2-enal
CID 49788314
(E,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-2-enal
CID 71499523
(2E,4E,6R,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-9-trimethylsilylnona-2,4,8-trienal
CID 101333011
(3E,5R,6R,7Z)-5-[tert-butyl(dimethyl)silyl]oxy-3,6,8-trimethyl-9-oxonona-3,7-dienoic acid
CID 134841707
(2E,4E,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnona-2,4-dienal
CID 134865845
(E)-2-methyl-4-[tri(propan-2-yl)silyloxymethyl]hex-2-enal
CID 134877568
(2E,4E,6E,8R,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6,8-tetramethyl-11-trimethylsilylundeca-2,4,6,10-tetraenal
CID 134979332

Frequently Asked Questions

What is the IUPAC name of (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal?
The IUPAC name of (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal (CID 135036509) is (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal.
What is the SMILES notation for (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal?
The canonical SMILES for (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal is C/C(C=O)=C/[C@@H](C)[C@H](/C=C(\C)CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal?
The InChIKey is JHNKAVDATYOXMK-PMFORXRLSA-N. The full InChI is InChI=1S/C24H48O3Si2/c1-19(14-15-26-28(10,11)23(4,5)6)17-22(21(3)16-20(2)18-25)27-29(12,13)24(7,8)9/h16-18,21-22H,14-15H2,1-13H3/b19-17+,20-16-/t21-,22+/m1/s1.
What are the key properties of (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal?
(2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal has a molecular weight of 440.82 g/mol, XLogP of 7.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4R,5R,6E)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,7-trimethylnona-2,6-dienal is sourced from PubChem (CID 135036509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).