(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron

C16H24FeO5Si — CID 11245957

IUPAC(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron
SMILESC[C@H](/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C13H24O2Si.3CO.Fe/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4;3*1-2;/h7-12H,1-6H3;;;;/b9-7+,10-8+;;;;/t12-;;;;/m1..../s1
InChIKeyIJPIABWUKRCLOG-GKRUJLBESA-N
MW380.29 g/mol
LogP3.59
Rot. Bonds5

About (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron

(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron (PubChem CID 11245957) has the molecular formula C16H24FeO5Si and a molecular weight of 380.29 g/mol. Its IUPAC name is (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron.

Molecular Properties

Compound Name(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron
PubChem CID11245957
Molecular FormulaC16H24FeO5Si
Molecular Weight380.29 g/mol
Exact Mass380.07
IUPAC Name(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron
SMILESC[C@H](/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]
InChIInChI=1S/C13H24O2Si.3CO.Fe/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4;3*1-2;/h7-12H,1-6H3;;;;/b9-7+,10-8+;;;;/t12-;;;;/m1..../s1
InChIKeyIJPIABWUKRCLOG-GKRUJLBESA-N
XLogP3.59
TPSA86.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,4-dienal
CID 44254364
(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 101493000
(3E,5E)-6-methyl-7-tri(propan-2-yl)silyloxyhepta-3,5-dien-2-one
CID 102109295
(4s)-(z)-4-(Triisopropylsilyl-oxy)pent-2-enal
CID 129826283
(2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal
CID 132607456
(3E,5E)-7-[tert-butyl(dimethyl)silyl]oxy-6-methylocta-3,5-dien-2-one
CID 134897761
(2E,4S,6Z,9Z)-4,12-bis[[tert-butyl(dimethyl)silyl]oxy]dodeca-2,6,9-trienal
CID 138968661
(E)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 21578834
4-[Tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 73803771
(E,4R)-4-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 87732856
(2E,4S,5S,6E)-4,5,8-tris[[tert-butyl(dimethyl)silyl]oxy]octa-2,6-dienal
CID 10052206

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron?
The IUPAC name of (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron (CID 11245957) is (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron.
What is the SMILES notation for (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron?
The canonical SMILES for (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron is C[C@H](/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].
What is the InChIKey of (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron?
The InChIKey is IJPIABWUKRCLOG-GKRUJLBESA-N. The full InChI is InChI=1S/C13H24O2Si.3CO.Fe/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4;3*1-2;/h7-12H,1-6H3;;;;/b9-7+,10-8+;;;;/t12-;;;;/m1..../s1.
What are the key properties of (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron?
(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron has a molecular weight of 380.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal;carbon monoxide;iron is sourced from PubChem (CID 11245957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).