methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate

C10H18O4Si — CID 134813875

IUPACmethyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate
SMILESC=C(/C=C/COC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-9(14-15(3,4)5)7-6-8-13-10(11)12-2/h6-7H,1,8H2,2-5H3/b7-6+
InChIKeyUGOIGRXDLFRQKC-VOTSOKGWSA-N
MW230.34 g/mol
LogP2.69
Rot. Bonds5

About methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate

methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate (PubChem CID 134813875) has the molecular formula C10H18O4Si and a molecular weight of 230.34 g/mol. Its IUPAC name is methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate.

Molecular Properties

Compound Namemethyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate
PubChem CID134813875
Molecular FormulaC10H18O4Si
Molecular Weight230.34 g/mol
Exact Mass230.10
IUPAC Namemethyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate
SMILESC=C(/C=C/COC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C10H18O4Si/c1-9(14-15(3,4)5)7-6-8-13-10(11)12-2/h6-7H,1,8H2,2-5H3/b7-6+
InChIKeyUGOIGRXDLFRQKC-VOTSOKGWSA-N
XLogP2.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate?
The IUPAC name of methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate (CID 134813875) is methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate.
What is the SMILES notation for methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate?
The canonical SMILES for methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate is C=C(/C=C/COC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate?
The InChIKey is UGOIGRXDLFRQKC-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H18O4Si/c1-9(14-15(3,4)5)7-6-8-13-10(11)12-2/h6-7H,1,8H2,2-5H3/b7-6+.
What are the key properties of methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate?
methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate has a molecular weight of 230.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl [(2E)-4-trimethylsilyloxypenta-2,4-dienyl] carbonate is sourced from PubChem (CID 134813875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).