tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane

C30H62O7Si — CID 141054227

IUPACtris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane
SMILESCCCCCCCC/C=C\CCCCCCCCOCCC[Si](OCCOC)(OCCOC)OCCOC
InChIInChI=1S/C30H62O7Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-34-23-21-30-38(35-27-24-31-2,36-28-25-32-3)37-29-26-33-4/h12-13H,5-11,14-30H2,1-4H3/b13-12-
InChIKeyVSWVSFIAPKIHAG-SEYXRHQNSA-N
MW562.91 g/mol
LogP7.36
Rot. Bonds32

About tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane

tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane (PubChem CID 141054227) has the molecular formula C30H62O7Si and a molecular weight of 562.91 g/mol. Its IUPAC name is tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane.

Molecular Properties

Compound Nametris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane
PubChem CID141054227
Molecular FormulaC30H62O7Si
Molecular Weight562.91 g/mol
Exact Mass562.43
IUPAC Nametris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane
SMILESCCCCCCCC/C=C\CCCCCCCCOCCC[Si](OCCOC)(OCCOC)OCCOC
InChIInChI=1S/C30H62O7Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-34-23-21-30-38(35-27-24-31-2,36-28-25-32-3)37-29-26-33-4/h12-13H,5-11,14-30H2,1-4H3/b13-12-
InChIKeyVSWVSFIAPKIHAG-SEYXRHQNSA-N
XLogP7.36
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.91
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane?
The IUPAC name of tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane (CID 141054227) is tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane.
What is the SMILES notation for tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane?
The canonical SMILES for tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane is CCCCCCCC/C=C\CCCCCCCCOCCC[Si](OCCOC)(OCCOC)OCCOC.
What is the InChIKey of tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane?
The InChIKey is VSWVSFIAPKIHAG-SEYXRHQNSA-N. The full InChI is InChI=1S/C30H62O7Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-34-23-21-30-38(35-27-24-31-2,36-28-25-32-3)37-29-26-33-4/h12-13H,5-11,14-30H2,1-4H3/b13-12-.
What are the key properties of tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane?
tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane has a molecular weight of 562.91 g/mol, XLogP of 7.36, 32 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methoxyethoxy)-[3-[(Z)-octadec-9-enoxy]propyl]silane is sourced from PubChem (CID 141054227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).