(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal

C18H34O2Si — CID 10543017

IUPAC(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/C=C/CCCC=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/h6-9,16H,10-15,17H2,1-5H3/b8-6+,9-7+
InChIKeyPCAZPTGQURSHBB-CDJQDVQCSA-N
MW310.55 g/mol
LogP5.66
Rot. Bonds11

About (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal

(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal (PubChem CID 10543017) has the molecular formula C18H34O2Si and a molecular weight of 310.55 g/mol. Its IUPAC name is (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal.

Molecular Properties

Compound Name(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
PubChem CID10543017
Molecular FormulaC18H34O2Si
Molecular Weight310.55 g/mol
Exact Mass310.23
IUPAC Name(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
SMILESCC(C)(C)[Si](C)(C)OCCCC/C=C/C=C/CCCC=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/h6-9,16H,10-15,17H2,1-5H3/b8-6+,9-7+
InChIKeyPCAZPTGQURSHBB-CDJQDVQCSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
CID 11371613
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-2-enal
CID 11310746
tert-butyl-[(7Z,9Z,11Z,13Z)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
CID 101176101
tert-butyl-[(4E,6E,8E)-deca-4,6,8-trienoxy]-dimethylsilane
CID 134860974
tert-butyl-dimethyl-[(Z)-tetracos-15-enoxy]silane
CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
(E)-11-[tert-butyl(dimethyl)silyl]oxyundec-2-enoic acid
CID 87313123
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal?
The IUPAC name of (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal (CID 10543017) is (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal.
What is the SMILES notation for (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal?
The canonical SMILES for (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal is CC(C)(C)[Si](C)(C)OCCCC/C=C/C=C/CCCC=O.
What is the InChIKey of (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal?
The InChIKey is PCAZPTGQURSHBB-CDJQDVQCSA-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/h6-9,16H,10-15,17H2,1-5H3/b8-6+,9-7+.
What are the key properties of (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal?
(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-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 (5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal is sourced from PubChem (CID 10543017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).