methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate

C26H56O2Si4 — CID 10577703

IUPACmethyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate
SMILESC=C(C/C(=C/[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CCCCCCCCCC)C(=O)OC
InChIInChI=1S/C26H56O2Si4/c1-13-14-15-16-17-18-19-20-21-25(22-24(2)26(27)28-3)23-32(29(4,5)6,30(7,8)9)31(10,11)12/h23H,2,13-22H2,1,3-12H3/b25-23+
InChIKeyWYSHZKURLQZDLM-WJTDDFOZSA-N
MW513.08 g/mol
LogP8.80
Rot. Bonds16

About methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate

methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate (PubChem CID 10577703) has the molecular formula C26H56O2Si4 and a molecular weight of 513.08 g/mol. Its IUPAC name is methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate.

Molecular Properties

Compound Namemethyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate
PubChem CID10577703
Molecular FormulaC26H56O2Si4
Molecular Weight513.08 g/mol
Exact Mass512.34
IUPAC Namemethyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate
SMILESC=C(C/C(=C/[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CCCCCCCCCC)C(=O)OC
InChIInChI=1S/C26H56O2Si4/c1-13-14-15-16-17-18-19-20-21-25(22-24(2)26(27)28-3)23-32(29(4,5)6,30(7,8)9)31(10,11)12/h23H,2,13-22H2,1,3-12H3/b25-23+
InChIKeyWYSHZKURLQZDLM-WJTDDFOZSA-N
XLogP8.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.08
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate?
The IUPAC name of methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate (CID 10577703) is methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate.
What is the SMILES notation for methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate?
The canonical SMILES for methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate is C=C(C/C(=C/[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)CCCCCCCCCC)C(=O)OC.
What is the InChIKey of methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate?
The InChIKey is WYSHZKURLQZDLM-WJTDDFOZSA-N. The full InChI is InChI=1S/C26H56O2Si4/c1-13-14-15-16-17-18-19-20-21-25(22-24(2)26(27)28-3)23-32(29(4,5)6,30(7,8)9)31(10,11)12/h23H,2,13-22H2,1,3-12H3/b25-23+.
What are the key properties of methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate?
methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate has a molecular weight of 513.08 g/mol, XLogP of 8.80, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E)-2-methylidene-4-[tris(trimethylsilyl)silylmethylidene]tetradecanoate is sourced from PubChem (CID 10577703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).