(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal

C13H26O2Si — CID 11287978

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

About (E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal

(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal (PubChem CID 11287978) 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-3-methylhex-2-enal.

Molecular Properties

Compound Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
PubChem CID11287978
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
SMILESC/C(=C\C=O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-12(9-10-14)8-7-11-15-16(5,6)13(2,3)4/h9-10H,7-8,11H2,1-6H3/b12-9+
InChIKeyBEIHOQRHDKZVOC-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal?
The IUPAC name of (E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal (CID 11287978) is (E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal.
What is the SMILES notation for (E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal?
The canonical SMILES for (E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal is C/C(=C\C=O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal?
The InChIKey is BEIHOQRHDKZVOC-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12(9-10-14)8-7-11-15-16(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-3-methylhex-2-enal?
(E)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-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-3-methylhex-2-enal is sourced from PubChem (CID 11287978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).