(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal

C16H26O3Si — CID 135014928

IUPAC(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCC/C(=C/C=O)c1ccco1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-13-6-8-14(10-11-17)15-9-7-12-18-15/h7,9-12H,6,8,13H2,1-5H3/b14-10-
InChIKeyCIVAKZSUIXEQOD-UVTDQMKNSA-N
MW294.47 g/mol
LogP4.66
Rot. Bonds7

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

(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal (PubChem CID 135014928) has the molecular formula C16H26O3Si and a molecular weight of 294.47 g/mol. Its IUPAC name is (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal.

Molecular Properties

Compound Name(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal
PubChem CID135014928
Molecular FormulaC16H26O3Si
Molecular Weight294.47 g/mol
Exact Mass294.17
IUPAC Name(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal
SMILESCC(C)(C)[Si](C)(C)OCCC/C(=C/C=O)c1ccco1
InChIInChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-13-6-8-14(10-11-17)15-9-7-12-18-15/h7,9-12H,6,8,13H2,1-5H3/b14-10-
InChIKeyCIVAKZSUIXEQOD-UVTDQMKNSA-N
XLogP4.66
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-methylhex-2-enal
CID 42611333
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774
4-[tert-butyl(dimethyl)silyl]oxybutyl 3-phenylpropanoate
CID 11688619
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
2-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]benzaldehyde
CID 175203615
N-benzyl-5-[tert-butyl(dimethyl)silyl]oxypentan-1-amine
CID 11709316
1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-(2-phenylethyl)urea
CID 155933037
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
tert-butyl-dimethyl-[(Z)-5-phenyl-4-tributylstannylpent-4-enoxy]silane
CID 177480372
5-[tert-butyl(dimethyl)silyl]oxy-1-chloropentan-2-one
CID 57382632
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127

Frequently Asked Questions

What is the IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal?
The IUPAC name of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal (CID 135014928) is (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal.
What is the SMILES notation for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal?
The canonical SMILES for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal is CC(C)(C)[Si](C)(C)OCCC/C(=C/C=O)c1ccco1.
What is the InChIKey of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal?
The InChIKey is CIVAKZSUIXEQOD-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H26O3Si/c1-16(2,3)20(4,5)19-13-6-8-14(10-11-17)15-9-7-12-18-15/h7,9-12H,6,8,13H2,1-5H3/b14-10-.
What are the key properties of (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal?
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal has a molecular weight of 294.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal is sourced from PubChem (CID 135014928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).