methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate

C24H54O2Si4 — CID 10576918

IUPACmethyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate
SMILESC=C(CC(CCCCCCCC)C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C24H54O2Si4/c1-13-14-15-16-17-18-19-23(20-22(2)24(25)26-3)21-30(27(4,5)6,28(7,8)9)29(10,11)12/h23H,2,13-21H2,1,3-12H3
InChIKeyWPIDIACIKGQYBN-UHFFFAOYSA-N
MW487.04 g/mol
LogP8.17
Rot. Bonds15

About methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate

methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate (PubChem CID 10576918) has the molecular formula C24H54O2Si4 and a molecular weight of 487.04 g/mol. Its IUPAC name is methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate.

Molecular Properties

Compound Namemethyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate
PubChem CID10576918
Molecular FormulaC24H54O2Si4
Molecular Weight487.04 g/mol
Exact Mass486.32
IUPAC Namemethyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate
SMILESC=C(CC(CCCCCCCC)C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)OC
InChIInChI=1S/C24H54O2Si4/c1-13-14-15-16-17-18-19-23(20-22(2)24(25)26-3)21-30(27(4,5)6,28(7,8)9)29(10,11)12/h23H,2,13-21H2,1,3-12H3
InChIKeyWPIDIACIKGQYBN-UHFFFAOYSA-N
XLogP8.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 58.17
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 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate?
The IUPAC name of methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate (CID 10576918) is methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate.
What is the SMILES notation for methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate?
The canonical SMILES for methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate is C=C(CC(CCCCCCCC)C[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate?
The InChIKey is WPIDIACIKGQYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O2Si4/c1-13-14-15-16-17-18-19-23(20-22(2)24(25)26-3)21-30(27(4,5)6,28(7,8)9)29(10,11)12/h23H,2,13-21H2,1,3-12H3.
What are the key properties of methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate?
methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate has a molecular weight of 487.04 g/mol, XLogP of 8.17, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidene-4-[tris(trimethylsilyl)silylmethyl]dodecanoate is sourced from PubChem (CID 10576918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).