tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane

C28H52O3Si — CID 10928713

IUPACtert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
SMILESC/C(=C\CC/C(C)=C/COC1CCCCO1)CC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H52O3Si/c1-24(15-12-17-26(3)20-23-30-27-19-9-10-21-29-27)14-11-16-25(2)18-13-22-31-32(7,8)28(4,5)6/h15-16,20,27H,9-14,17-19,21-23H2,1-8H3/b24-15+,25-16+,26-20+
InChIKeyLWWHSPQDLVFBRV-QKBPGNGDSA-N
MW464.81 g/mol
LogP8.73
Rot. Bonds14

About tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane

tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane (PubChem CID 10928713) has the molecular formula C28H52O3Si and a molecular weight of 464.81 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
PubChem CID10928713
Molecular FormulaC28H52O3Si
Molecular Weight464.81 g/mol
Exact Mass464.37
IUPAC Nametert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane
SMILESC/C(=C\CC/C(C)=C/COC1CCCCO1)CC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H52O3Si/c1-24(15-12-17-26(3)20-23-30-27-19-9-10-21-29-27)14-11-16-25(2)18-13-22-31-32(7,8)28(4,5)6/h15-16,20,27H,9-14,17-19,21-23H2,1-8H3/b24-15+,25-16+,26-20+
InChIKeyLWWHSPQDLVFBRV-QKBPGNGDSA-N
XLogP8.73
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.81
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
[(2E,6Z)-2,6-dimethyl-8-(oxan-2-yloxy)octa-2,6-dienyl] acetate
CID 10469860
2,7,11-trimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trien-4-one
CID 54387343
2,9,13-trimethyl-15-(oxan-2-yloxy)pentadeca-2,9,13-trien-6-ol
CID 70162877
2-[(E)-6-cyclopropylidene-3-methylhex-2-enoxy]oxane
CID 56851675
2-[(2E,6Z)-7-(fluoromethyl)-3,11-dimethyldodeca-2,6,10-trienoxy]oxane
CID 25227676
7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-yn-4-ol
CID 54406454
(Z)-2-methyl-4-(oxan-2-yloxy)but-2-en-1-ol
CID 59748857
2-[(Z)-6-chloro-4-methylhex-4-enoxy]oxane
CID 102410963
(2Z,6Z)-3,7-dimethyl-8-(oxan-2-yloxy)octa-2,6-dien-1-ol
CID 122523167
tert-butyl-[(6E,10E)-1-diethoxyphosphoryl-6,10-dimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-1-yn-3-yl]oxy-dimethylsilane
CID 15726389
3,7,11-trimethyl-12-(oxan-2-yloxy)dodeca-6,10-dien-3-ol
CID 67848539

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane (CID 10928713) is tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane is C/C(=C\CC/C(C)=C/COC1CCCCO1)CC/C=C(\C)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane?
The InChIKey is LWWHSPQDLVFBRV-QKBPGNGDSA-N. The full InChI is InChI=1S/C28H52O3Si/c1-24(15-12-17-26(3)20-23-30-27-19-9-10-21-29-27)14-11-16-25(2)18-13-22-31-32(7,8)28(4,5)6/h15-16,20,27H,9-14,17-19,21-23H2,1-8H3/b24-15+,25-16+,26-20+.
What are the key properties of tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane?
tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane has a molecular weight of 464.81 g/mol, XLogP of 8.73, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4E,8E,12E)-4,8,12-trimethyl-14-(oxan-2-yloxy)tetradeca-4,8,12-trienoxy]silane is sourced from PubChem (CID 10928713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).