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

C13H24O2Si — CID 11245958

IUPAC(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
SMILESC[C@H](/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h7-12H,1-6H3/b9-7+,10-8+/t12-/m1/s1
InChIKeyPTFLVTRPRHJUNS-IWPUVBLRSA-N
MW240.42 g/mol
LogP3.71
Rot. Bonds5

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

(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal (PubChem CID 11245958) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
PubChem CID11245958
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Name(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
SMILESC[C@H](/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H24O2Si/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/h7-12H,1-6H3/b9-7+,10-8+/t12-/m1/s1
InChIKeyPTFLVTRPRHJUNS-IWPUVBLRSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.71
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 11600961
(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal
CID 11140643
(Z,5R)-5-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11206942
(2E,4E)-7-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11715676
(2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienal
CID 11732584
(2E,4E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhexa-2,4-dienal
CID 44254364
(2E)-4-triethylsilyloxypenta-2,4-dienal
CID 101234174
(2E)-4-[tert-butyl(dimethyl)silyl]oxypenta-2,4-dienal
CID 101234175
(2E)-4-tri(propan-2-yl)silyloxypenta-2,4-dienal
CID 101234176
(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

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal?
The IUPAC name of (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal (CID 11245958) is (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal.
What is the SMILES notation for (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal?
The canonical SMILES for (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal is C[C@H](/C=C/C=C/C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal?
The InChIKey is PTFLVTRPRHJUNS-IWPUVBLRSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-12(10-8-7-9-11-14)15-16(5,6)13(2,3)4/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?
(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal has a molecular weight of 240.42 g/mol, XLogP of 3.71, 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 is sourced from PubChem (CID 11245958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).