(4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal

C18H34O2Si — CID 10495202

IUPAC(4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/CC/C=C/CCC=O
InChIInChI=1S/C18H34O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h8-11,16H,6-7,12-15,17H2,1-5H3/b10-8+,11-9+
InChIKeyUGDSROQEINHJEH-GFULKKFKSA-N
MW310.55 g/mol
LogP5.66
Rot. Bonds11

About (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal

(4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal (PubChem CID 10495202) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal.

Molecular Properties

Compound Name(4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal
PubChem CID10495202
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal
SMILESCC(C)(C)[Si](C)(C)OCCC/C=C/CC/C=C/CCC=O
InChIInChI=1S/C18H34O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h8-11,16H,6-7,12-15,17H2,1-5H3/b10-8+,11-9+
InChIKeyUGDSROQEINHJEH-GFULKKFKSA-N
XLogP5.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal?
The IUPAC name of (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal (CID 10495202) is (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal.
What is the SMILES notation for (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal?
The canonical SMILES for (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal is CC(C)(C)[Si](C)(C)OCCC/C=C/CC/C=C/CCC=O.
What is the InChIKey of (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal?
The InChIKey is UGDSROQEINHJEH-GFULKKFKSA-N. The full InChI is InChI=1S/C18H34O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h8-11,16H,6-7,12-15,17H2,1-5H3/b10-8+,11-9+.
What are the key properties of (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal?
(4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal has a molecular weight of 310.55 g/mol, XLogP of 5.66, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-4,8-dienal is sourced from PubChem (CID 10495202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).