tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane

C25H50O3Si — CID 153395342

IUPACtert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane
SMILESCCCC(CCCC/C=C\CCCCO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C25H50O3Si/c1-7-18-23(28-24-20-15-17-21-26-24)19-14-12-10-8-9-11-13-16-22-27-29(5,6)25(2,3)4/h8-9,23-24H,7,10-22H2,1-6H3/b9-8-
InChIKeyXXDDQPJXJHSKFM-HJWRWDBZSA-N
MW426.76 g/mol
LogP8.01
Rot. Bonds15

About tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane

tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane (PubChem CID 153395342) has the molecular formula C25H50O3Si and a molecular weight of 426.76 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane
PubChem CID153395342
Molecular FormulaC25H50O3Si
Molecular Weight426.76 g/mol
Exact Mass426.35
IUPAC Nametert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane
SMILESCCCC(CCCC/C=C\CCCCO[Si](C)(C)C(C)(C)C)OC1CCCCO1
InChIInChI=1S/C25H50O3Si/c1-7-18-23(28-24-20-15-17-21-26-24)19-14-12-10-8-9-11-13-16-22-27-29(5,6)25(2,3)4/h8-9,23-24H,7,10-22H2,1-6H3/b9-8-
InChIKeyXXDDQPJXJHSKFM-HJWRWDBZSA-N
XLogP8.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.76
LogP ≤ 58.01
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane (CID 153395342) is tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane is CCCC(CCCC/C=C\CCCCO[Si](C)(C)C(C)(C)C)OC1CCCCO1.
What is the InChIKey of tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane?
The InChIKey is XXDDQPJXJHSKFM-HJWRWDBZSA-N. The full InChI is InChI=1S/C25H50O3Si/c1-7-18-23(28-24-20-15-17-21-26-24)19-14-12-10-8-9-11-13-16-22-27-29(5,6)25(2,3)4/h8-9,23-24H,7,10-22H2,1-6H3/b9-8-.
What are the key properties of tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane?
tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane has a molecular weight of 426.76 g/mol, XLogP of 8.01, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z)-11-(oxan-2-yloxy)tetradec-5-enoxy]silane is sourced from PubChem (CID 153395342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).