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

C13H26O2Si — CID 42611333

IUPAC(Z)-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-XFXZXTDPSA-N
MW242.43 g/mol
LogP3.93
Rot. Bonds6

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

(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal (PubChem CID 42611333) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal.

Molecular Properties

Compound Name(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
PubChem CID42611333
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(Z)-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-XFXZXTDPSA-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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Related Compounds

(3E,5E)-9-[tert-butyl(dimethyl)silyl]oxy-6-methylnona-3,5-dien-1-ol
CID 102108791
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal
CID 135014928
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
CID 57382632
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
(E)-7-hydroxy-3,7-dimethyloct-2-enal
CID 13023839
(E)-7-methoxy-3,7-dimethyloct-2-enal
CID 14038266
7-[tert-butyl(dimethyl)silyl]oxyheptyl acetate
CID 102305322
7-[tert-butyl(dimethyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 74029317
(2Z,6E,10S,11R)-13-[tert-butyl(dimethyl)silyl]oxy-10-(2-iodoethynyl)-3,7,10,11-tetramethyltrideca-2,6-dienal
CID 66552631

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal?
The IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal (CID 42611333) is (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal.
What is the SMILES notation for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal?
The canonical SMILES for (Z)-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 (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal?
The InChIKey is BEIHOQRHDKZVOC-XFXZXTDPSA-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 (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal?
(Z)-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 (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal is sourced from PubChem (CID 42611333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).