methyl (E)-3-trimethylsilyldec-4-enoate

C14H28O2Si — CID 10491342

IUPACmethyl (E)-3-trimethylsilyldec-4-enoate
SMILESCCCCC/C=C/C(CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-6-7-8-9-10-11-13(17(3,4)5)12-14(15)16-2/h10-11,13H,6-9,12H2,1-5H3/b11-10+
InChIKeyRYDAGNORKBCGSR-ZHACJKMWSA-N
MW256.46 g/mol
LogP4.39
Rot. Bonds8

About methyl (E)-3-trimethylsilyldec-4-enoate

methyl (E)-3-trimethylsilyldec-4-enoate (PubChem CID 10491342) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is methyl (E)-3-trimethylsilyldec-4-enoate.

Molecular Properties

Compound Namemethyl (E)-3-trimethylsilyldec-4-enoate
PubChem CID10491342
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Namemethyl (E)-3-trimethylsilyldec-4-enoate
SMILESCCCCC/C=C/C(CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C14H28O2Si/c1-6-7-8-9-10-11-13(17(3,4)5)12-14(15)16-2/h10-11,13H,6-9,12H2,1-5H3/b11-10+
InChIKeyRYDAGNORKBCGSR-ZHACJKMWSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.39
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-trimethylsilyldec-4-enoate?
The IUPAC name of methyl (E)-3-trimethylsilyldec-4-enoate (CID 10491342) is methyl (E)-3-trimethylsilyldec-4-enoate.
What is the SMILES notation for methyl (E)-3-trimethylsilyldec-4-enoate?
The canonical SMILES for methyl (E)-3-trimethylsilyldec-4-enoate is CCCCC/C=C/C(CC(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (E)-3-trimethylsilyldec-4-enoate?
The InChIKey is RYDAGNORKBCGSR-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-6-7-8-9-10-11-13(17(3,4)5)12-14(15)16-2/h10-11,13H,6-9,12H2,1-5H3/b11-10+.
What are the key properties of methyl (E)-3-trimethylsilyldec-4-enoate?
methyl (E)-3-trimethylsilyldec-4-enoate has a molecular weight of 256.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-trimethylsilyldec-4-enoate is sourced from PubChem (CID 10491342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).