[(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate

C12H22O3Si — CID 101483185

IUPAC[(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C(C)=C(C)\C=C\[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(7-8-16(4,5)6)11(2)9-15-12(13)14-3/h7-8H,9H2,1-6H3/b8-7+,11-10-
InChIKeyMWXCGKITWCJOJF-LFOHPMNASA-N
MW242.39 g/mol
LogP3.54
Rot. Bonds4

About [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate

[(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate (PubChem CID 101483185) has the molecular formula C12H22O3Si and a molecular weight of 242.39 g/mol. Its IUPAC name is [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate.

Molecular Properties

Compound Name[(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate
PubChem CID101483185
Molecular FormulaC12H22O3Si
Molecular Weight242.39 g/mol
Exact Mass242.13
IUPAC Name[(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate
SMILESCOC(=O)OC/C(C)=C(C)\C=C\[Si](C)(C)C
InChIInChI=1S/C12H22O3Si/c1-10(7-8-16(4,5)6)11(2)9-15-12(13)14-3/h7-8H,9H2,1-6H3/b8-7+,11-10-
InChIKeyMWXCGKITWCJOJF-LFOHPMNASA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate?
The IUPAC name of [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate (CID 101483185) is [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate.
What is the SMILES notation for [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate?
The canonical SMILES for [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate is COC(=O)OC/C(C)=C(C)\C=C\[Si](C)(C)C.
What is the InChIKey of [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate?
The InChIKey is MWXCGKITWCJOJF-LFOHPMNASA-N. The full InChI is InChI=1S/C12H22O3Si/c1-10(7-8-16(4,5)6)11(2)9-15-12(13)14-3/h7-8H,9H2,1-6H3/b8-7+,11-10-.
What are the key properties of [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate?
[(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate has a molecular weight of 242.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E)-2,3-dimethyl-5-trimethylsilylpenta-2,4-dienyl] methyl carbonate is sourced from PubChem (CID 101483185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).