(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal

C18H34O2Si — CID 11758728

IUPAC(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal
SMILESC/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CCC=O
InChIInChI=1S/C18H34O2Si/c1-16(12-9-14-19)10-8-11-17(2)13-15-20-21(6,7)18(3,4)5/h10,13-14H,8-9,11-12,15H2,1-7H3/b16-10+,17-13+
InChIKeyCSQFFIBMAHHATM-QKXOVSGLSA-N
MW310.55 g/mol
LogP5.66
Rot. Bonds9

About (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal

(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal (PubChem CID 11758728) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal.

Molecular Properties

Compound Name(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal
PubChem CID11758728
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal
SMILESC/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CCC=O
InChIInChI=1S/C18H34O2Si/c1-16(12-9-14-19)10-8-11-17(2)13-15-20-21(6,7)18(3,4)5/h10,13-14H,8-9,11-12,15H2,1-7H3/b16-10+,17-13+
InChIKeyCSQFFIBMAHHATM-QKXOVSGLSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-methyl-6-trimethylsilylhex-4-enal
CID 12892721
(9s,5e,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienal
CID 129706211
(9s,5z,7e)-9-t-Butyldimethylsilyloxy-5,7-decadienal
CID 129706388
4-Methyl-6-trimethylsilylhex-4-enal
CID 49859142
(4E,8E,12E)-5,9-dimethyl-2-methylidene-14-tri(propan-2-yl)silyloxypentadeca-4,8,12,14-tetraenal
CID 11575596
(Z)-4-(trimethylsilylmethyl)hex-4-enal
CID 14712720
(e)-8-[t-Butyl(dimethyl)silyloxy]oct-5-enal
CID 132279469
(4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal
CID 10495202
(E)-4-(trimethylsilylmethyl)hex-4-enal
CID 14712719
(Z)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 10036758
(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylocta-2,6-dienal
CID 11748025
6,10-Dimethyl-11-(dimethyl t-butylsilyl)oxy-5,9-undecadien-2-one
CID 54059848

Frequently Asked Questions

What is the IUPAC name of (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal?
The IUPAC name of (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal (CID 11758728) is (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal.
What is the SMILES notation for (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal?
The canonical SMILES for (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal is C/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CCC=O.
What is the InChIKey of (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal?
The InChIKey is CSQFFIBMAHHATM-QKXOVSGLSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-16(12-9-14-19)10-8-11-17(2)13-15-20-21(6,7)18(3,4)5/h10,13-14H,8-9,11-12,15H2,1-7H3/b16-10+,17-13+.
What are the key properties of (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal?
(4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal has a molecular weight of 310.55 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-10-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyldeca-4,8-dienal is sourced from PubChem (CID 11758728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).