tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane

C22H44OSi — CID 11371613

IUPACtert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
SMILESCCC/C=C\C=C\CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h9-12H,7-8,13-21H2,1-6H3/b10-9-,12-11+
InChIKeyVAADGADXRMNEBA-XAZJVICWSA-N
MW352.68 g/mol
LogP8.04
Rot. Bonds14

About tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane

tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane (PubChem CID 11371613) has the molecular formula C22H44OSi and a molecular weight of 352.68 g/mol. Its IUPAC name is tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
PubChem CID11371613
Molecular FormulaC22H44OSi
Molecular Weight352.68 g/mol
Exact Mass352.32
IUPAC Nametert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane
SMILESCCC/C=C\C=C\CCCCCCCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H44OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h9-12H,7-8,13-21H2,1-6H3/b10-9-,12-11+
InChIKeyVAADGADXRMNEBA-XAZJVICWSA-N
XLogP8.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.68
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(7Z,9Z,11Z,13Z)-hexadeca-7,9,11,13-tetraenoxy]-dimethylsilane
CID 101176101
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CID 6430267
tert-butyl-[(Z)-icos-5-enoxy]-dimethylsilane
CID 6430269
tert-butyl-dimethyl-[(E)-octadec-6-enoxy]silane
CID 6430282
tert-butyl-dimethyl-[(Z)-non-6-enoxy]silane
CID 59602006
(5E,7E)-12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-dienal
CID 10543017
tert-butyl-[(4E,6E,8E)-deca-4,6,8-trienoxy]-dimethylsilane
CID 134860974
tert-butyl-hexacosoxy-dimethylsilane
CID 6430213
(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 tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane (CID 11371613) is tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane is CCC/C=C\C=C\CCCCCCCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane?
The InChIKey is VAADGADXRMNEBA-XAZJVICWSA-N. The full InChI is InChI=1S/C22H44OSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24(5,6)22(2,3)4/h9-12H,7-8,13-21H2,1-6H3/b10-9-,12-11+.
What are the key properties of tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane?
tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane has a molecular weight of 352.68 g/mol, XLogP of 8.04, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(10E,12Z)-hexadeca-10,12-dienoxy]-dimethylsilane is sourced from PubChem (CID 11371613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).