oxo(11-triethoxysilylundecylidyne)-λ5-phosphane

C17H35O4PSi — CID 155776293

IUPACoxo(11-triethoxysilylundecylidyne)-λ5-phosphane
SMILESCCO[Si](CCCCCCCCCCC#P=O)(OCC)OCC
InChIInChI=1S/C17H35O4PSi/c1-4-19-23(20-5-2,21-6-3)17-15-13-11-9-7-8-10-12-14-16-22-18/h4-15,17H2,1-3H3
InChIKeyLBNCAXMPULZESP-UHFFFAOYSA-N
MW362.52 g/mol
LogP5.80
Rot. Bonds16

About oxo(11-triethoxysilylundecylidyne)-λ5-phosphane

oxo(11-triethoxysilylundecylidyne)-λ5-phosphane (PubChem CID 155776293) has the molecular formula C17H35O4PSi and a molecular weight of 362.52 g/mol. Its IUPAC name is oxo(11-triethoxysilylundecylidyne)-λ5-phosphane.

Molecular Properties

Compound Nameoxo(11-triethoxysilylundecylidyne)-λ5-phosphane
PubChem CID155776293
Molecular FormulaC17H35O4PSi
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Nameoxo(11-triethoxysilylundecylidyne)-λ5-phosphane
SMILESCCO[Si](CCCCCCCCCCC#P=O)(OCC)OCC
InChIInChI=1S/C17H35O4PSi/c1-4-19-23(20-5-2,21-6-3)17-15-13-11-9-7-8-10-12-14-16-22-18/h4-15,17H2,1-3H3
InChIKeyLBNCAXMPULZESP-UHFFFAOYSA-N
XLogP5.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
12-triethoxysilyldodecanenitrile
CID 45158997
29-triethoxysilylnonacosane-1-thiol
CID 87683851
20-triethoxysilylicosane-1-thiol
CID 87684173
triethoxy(henicosyl)silane
CID 141362894
dodecyl(triethoxy)silane;tridecane
CID 174970002
oxo(undecylidyne)-λ5-phosphane
CID 141443379
triethoxy(nonyl)silane;triethoxy(octyl)silane
CID 175508301
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
triethoxy(nonyl)silane;hydrofluoride
CID 161088856
silane;triethoxy(tetradecyl)silane
CID 161365398
1,9-bis(triethoxysilyl)nonan-5-one
CID 158928265

Frequently Asked Questions

What is the IUPAC name of oxo(11-triethoxysilylundecylidyne)-λ5-phosphane?
The IUPAC name of oxo(11-triethoxysilylundecylidyne)-λ5-phosphane (CID 155776293) is oxo(11-triethoxysilylundecylidyne)-λ5-phosphane.
What is the SMILES notation for oxo(11-triethoxysilylundecylidyne)-λ5-phosphane?
The canonical SMILES for oxo(11-triethoxysilylundecylidyne)-λ5-phosphane is CCO[Si](CCCCCCCCCCC#P=O)(OCC)OCC.
What is the InChIKey of oxo(11-triethoxysilylundecylidyne)-λ5-phosphane?
The InChIKey is LBNCAXMPULZESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35O4PSi/c1-4-19-23(20-5-2,21-6-3)17-15-13-11-9-7-8-10-12-14-16-22-18/h4-15,17H2,1-3H3.
What are the key properties of oxo(11-triethoxysilylundecylidyne)-λ5-phosphane?
oxo(11-triethoxysilylundecylidyne)-λ5-phosphane has a molecular weight of 362.52 g/mol, XLogP of 5.80, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(11-triethoxysilylundecylidyne)-λ5-phosphane is sourced from PubChem (CID 155776293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).