(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal

C13H26O2Si — CID 10466927

IUPAC(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal
SMILESC/C(=C\CCC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h9-10H,7-8,11H2,1-6H3/b12-9+
InChIKeyKHDGIAYGIGPTEC-FMIVXFBMSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds6

About (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal

(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal (PubChem CID 10466927) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal
PubChem CID10466927
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal
SMILESC/C(=C\CCC=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h9-10H,7-8,11H2,1-6H3/b12-9+
InChIKeyKHDGIAYGIGPTEC-FMIVXFBMSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-[(Z)-2-methylhex-2-enoxy]silane
CID 89381539
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71340946
acetic acid;4-[tert-butyl(dimethyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 71342470
tert-butyl-[(2E,6E)-8-chloro-2,6-dimethylocta-2,6-dienoxy]-dimethylsilane
CID 10979583
(E)-8-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-4-en-6-ynal
CID 10778199
2-acetyl-10-[tert-butyl(dimethyl)silyl]oxy-5,9-dimethyldeca-4,8-dienoic acid
CID 88524635
trimethyl(2-methylhepta-2,6-dienoxy)silane
CID 164792053
methyl (2E,3E,5E,9E)-11-[tert-butyl(dimethyl)silyl]oxy-2-ethylidene-4,10-dimethylundeca-3,5,9-trienoate
CID 102385619
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
tert-butyl-[(2E)-2,6-dimethyl-9-phenylnona-2,6-dienoxy]-dimethylsilane
CID 59479992
methyl (6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7,11-dimethyldodeca-6,10-dienoate
CID 14805432
tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077

Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal (CID 10466927) is (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal is C/C(=C\CCC=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal?
The InChIKey is KHDGIAYGIGPTEC-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(9-7-8-10-14)11-15-16(5,6)13(2,3)4/h9-10H,7-8,11H2,1-6H3/b12-9+.
What are the key properties of (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal?
(E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal has a molecular weight of 242.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhex-4-enal is sourced from PubChem (CID 10466927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).