(2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal

C14H26O3Si — CID 11304414

IUPAC(2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal
SMILESCO[C@@H](/C=C/C=C/C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-13(16-4)10-8-7-9-11-15/h7-11,13H,12H2,1-6H3/b9-7+,10-8+/t13-/m0/s1
InChIKeyURFYNRZZAOVZSQ-QOMCMRIJSA-N
MW270.44 g/mol
LogP3.33
Rot. Bonds7

About (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal

(2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal (PubChem CID 11304414) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal
PubChem CID11304414
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name(2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal
SMILESCO[C@@H](/C=C/C=C/C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-13(16-4)10-8-7-9-11-15/h7-11,13H,12H2,1-6H3/b9-7+,10-8+/t13-/m0/s1
InChIKeyURFYNRZZAOVZSQ-QOMCMRIJSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.33
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': '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
ethyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-10-oxodeca-2,4,8-trienoate
CID 11186803
(2E,4E,6R)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxyocta-2,4-dienal
CID 11140643
(2Z,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyocta-2,4-dienal
CID 101493000
(2E,4E,6E,8R,9R)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]undeca-2,4,6,10-tetraenal
CID 132607456
Octa-2,4-dienoic acid, 7-(t-butyldimethylsilyloxy-, methyl ester
CID 5366636
(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
ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2E)-penta-2,4-dienoxy]pent-2-enoate
CID 10860762
(E)-3-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxiran-2-yl]prop-2-enal
CID 11148557
(2E,4E,6R)-6-[tert-butyl(dimethyl)silyl]oxyhepta-2,4-dienal
CID 11245958

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal?
The IUPAC name of (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal (CID 11304414) is (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal.
What is the SMILES notation for (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal?
The canonical SMILES for (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal is CO[C@@H](/C=C/C=C/C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal?
The InChIKey is URFYNRZZAOVZSQ-QOMCMRIJSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(2,3)18(5,6)17-12-13(16-4)10-8-7-9-11-15/h7-11,13H,12H2,1-6H3/b9-7+,10-8+/t13-/m0/s1.
What are the key properties of (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal?
(2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal has a molecular weight of 270.44 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-methoxyhepta-2,4-dienal is sourced from PubChem (CID 11304414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).