ethenylsilane;tris(octadecanoic acid)

C56H114O6Si — CID 159903222

IUPACethenylsilane;tris(octadecanoic acid)
SMILESC=C[SiH3].CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/3C18H36O2.C2H6Si/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h3*2-17H2,1H3,(H,19,20);2H,1H2,3H3
InChIKeyNWFOVJDJHYXCGX-UHFFFAOYSA-N
MW911.61 g/mol
LogP18.49
Rot. Bonds48

About ethenylsilane;tris(octadecanoic acid)

ethenylsilane;tris(octadecanoic acid) (PubChem CID 159903222) has the molecular formula C56H114O6Si and a molecular weight of 911.61 g/mol. Its IUPAC name is ethenylsilane;tris(octadecanoic acid).

Molecular Properties

Compound Nameethenylsilane;tris(octadecanoic acid)
PubChem CID159903222
Molecular FormulaC56H114O6Si
Molecular Weight911.61 g/mol
Exact Mass910.84
IUPAC Nameethenylsilane;tris(octadecanoic acid)
SMILESC=C[SiH3].CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/3C18H36O2.C2H6Si/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h3*2-17H2,1H3,(H,19,20);2H,1H2,3H3
InChIKeyNWFOVJDJHYXCGX-UHFFFAOYSA-N
XLogP18.49
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds48
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.61
LogP ≤ 518.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethenylsilane;tetradecanoic acid
CID 158229930
ethenylsilane;tris(tetradecanoic acid)
CID 160771132
ethenol;octadecanoic acid
CID 87216470
ethene;pentadecanoic acid
CID 158692309
ethene;bis(octadecanoic acid)
CID 158437449
ethene;bis(hexadecanoic acid)
CID 159407360
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
henicosane;tetracontanoic acid
CID 175935348

Frequently Asked Questions

What is the IUPAC name of ethenylsilane;tris(octadecanoic acid)?
The IUPAC name of ethenylsilane;tris(octadecanoic acid) (CID 159903222) is ethenylsilane;tris(octadecanoic acid).
What is the SMILES notation for ethenylsilane;tris(octadecanoic acid)?
The canonical SMILES for ethenylsilane;tris(octadecanoic acid) is C=C[SiH3].CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of ethenylsilane;tris(octadecanoic acid)?
The InChIKey is NWFOVJDJHYXCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H36O2.C2H6Si/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3/h3*2-17H2,1H3,(H,19,20);2H,1H2,3H3.
What are the key properties of ethenylsilane;tris(octadecanoic acid)?
ethenylsilane;tris(octadecanoic acid) has a molecular weight of 911.61 g/mol, XLogP of 18.49, 48 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsilane;tris(octadecanoic acid) is sourced from PubChem (CID 159903222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).