[(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate

C17H32O3Si — CID 134939781

IUPAC[(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate
SMILESC=CC(/C=C/COC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-9-17(11-10-12-19-16(8)18)20-21(13(2)3,14(4)5)15(6)7/h9-11,13-15,17H,1,12H2,2-8H3/b11-10+
InChIKeyZCLRHQDGUCFJGR-ZHACJKMWSA-N
MW312.53 g/mol
LogP4.85
Rot. Bonds9

About [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate

[(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate (PubChem CID 134939781) has the molecular formula C17H32O3Si and a molecular weight of 312.53 g/mol. Its IUPAC name is [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate.

Molecular Properties

Compound Name[(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate
PubChem CID134939781
Molecular FormulaC17H32O3Si
Molecular Weight312.53 g/mol
Exact Mass312.21
IUPAC Name[(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate
SMILESC=CC(/C=C/COC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H32O3Si/c1-9-17(11-10-12-19-16(8)18)20-21(13(2)3,14(4)5)15(6)7/h9-11,13-15,17H,1,12H2,2-8H3/b11-10+
InChIKeyZCLRHQDGUCFJGR-ZHACJKMWSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.53
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate?
The IUPAC name of [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate (CID 134939781) is [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate.
What is the SMILES notation for [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate?
The canonical SMILES for [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate is C=CC(/C=C/COC(C)=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate?
The InChIKey is ZCLRHQDGUCFJGR-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H32O3Si/c1-9-17(11-10-12-19-16(8)18)20-21(13(2)3,14(4)5)15(6)7/h9-11,13-15,17H,1,12H2,2-8H3/b11-10+.
What are the key properties of [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate?
[(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate has a molecular weight of 312.53 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-tri(propan-2-yl)silyloxyhexa-2,5-dienyl] acetate is sourced from PubChem (CID 134939781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).