[(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane

C21H44O2Si2 — CID 15239134

IUPAC[(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane
SMILESC/C(=C\CCC(C)O[Si](C)(C)C)CC/C=C(\C)CCCO[Si](C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-19(15-11-17-21(3)23-25(7,8)9)13-10-14-20(2)16-12-18-22-24(4,5)6/h14-15,21H,10-13,16-18H2,1-9H3/b19-15+,20-14+
InChIKeyALRVXDICUWVCHM-YTOAGJIJSA-N
MW384.75 g/mol
LogP7.31
Rot. Bonds13

About [(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane

[(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane (PubChem CID 15239134) has the molecular formula C21H44O2Si2 and a molecular weight of 384.75 g/mol. Its IUPAC name is [(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane
PubChem CID15239134
Molecular FormulaC21H44O2Si2
Molecular Weight384.75 g/mol
Exact Mass384.29
IUPAC Name[(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane
SMILESC/C(=C\CCC(C)O[Si](C)(C)C)CC/C=C(\C)CCCO[Si](C)(C)C
InChIInChI=1S/C21H44O2Si2/c1-19(15-11-17-21(3)23-25(7,8)9)13-10-14-20(2)16-12-18-22-24(4,5)6/h14-15,21H,10-13,16-18H2,1-9H3/b19-15+,20-14+
InChIKeyALRVXDICUWVCHM-YTOAGJIJSA-N
XLogP7.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane?
The IUPAC name of [(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane (CID 15239134) is [(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane.
What is the SMILES notation for [(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane?
The canonical SMILES for [(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane is C/C(=C\CCC(C)O[Si](C)(C)C)CC/C=C(\C)CCCO[Si](C)(C)C.
What is the InChIKey of [(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane?
The InChIKey is ALRVXDICUWVCHM-YTOAGJIJSA-N. The full InChI is InChI=1S/C21H44O2Si2/c1-19(15-11-17-21(3)23-25(7,8)9)13-10-14-20(2)16-12-18-22-24(4,5)6/h14-15,21H,10-13,16-18H2,1-9H3/b19-15+,20-14+.
What are the key properties of [(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane?
[(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane has a molecular weight of 384.75 g/mol, XLogP of 7.31, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,8E)-4,8-dimethyl-12-trimethylsilyloxytrideca-4,8-dienoxy]-trimethylsilane is sourced from PubChem (CID 15239134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).