[(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate

C13H22O4Si — CID 134980171

IUPAC[(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate
SMILESC=C(COC(C)=O)/C(=C\COC(C)=O)[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-10(9-17-12(3)15)13(18(4,5)6)7-8-16-11(2)14/h7H,1,8-9H2,2-6H3/b13-7+
InChIKeyQUJGDDPYSMPCNF-NTUHNPAUSA-N
MW270.40 g/mol
LogP2.47
Rot. Bonds6

About [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate

[(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate (PubChem CID 134980171) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate.

Molecular Properties

Compound Name[(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate
PubChem CID134980171
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Name[(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate
SMILESC=C(COC(C)=O)/C(=C\COC(C)=O)[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-10(9-17-12(3)15)13(18(4,5)6)7-8-16-11(2)14/h7H,1,8-9H2,2-6H3/b13-7+
InChIKeyQUJGDDPYSMPCNF-NTUHNPAUSA-N
XLogP2.47
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[4-(acetyloxymethyl)-2-methylidene-3-oxopent-4-enyl] acetate
CID 54165995
prop-2-enyl 2-(acetyloxymethyl)prop-2-enoate
CID 87121209
3-methylbut-2-enyl acetate
CID 87304509
[(E)-3-(acetyloxymethyl)pent-2-enyl] acetate
CID 15254391
[(E)-3-(acetyloxymethyl)dec-2-enyl] acetate
CID 11086836
[(Z)-3-methoxybut-2-enyl] acetate
CID 135086169
[(E)-4-hydroxyimino-3-methylbut-2-enyl] acetate
CID 173452291
[(2E,4E)-6-hydroxy-3-methylhexa-2,4-dienyl] acetate
CID 88832469
[(Z)-4-chloro-3-methyl-4-oxobut-2-enyl] acetate
CID 71477006
[(2E,4Z)-4,6-diacetyloxyhexa-2,4-dienyl] acetate
CID 101000206
4-ethoxypenta-2,4-dienyl acetate
CID 123296017
(6-chloro-3-methylhexa-2,4-dienyl) acetate
CID 156769956

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate?
The IUPAC name of [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate (CID 134980171) is [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate.
What is the SMILES notation for [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate?
The canonical SMILES for [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate is C=C(COC(C)=O)/C(=C\COC(C)=O)[Si](C)(C)C.
What is the InChIKey of [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate?
The InChIKey is QUJGDDPYSMPCNF-NTUHNPAUSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-10(9-17-12(3)15)13(18(4,5)6)7-8-16-11(2)14/h7H,1,8-9H2,2-6H3/b13-7+.
What are the key properties of [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate?
[(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate has a molecular weight of 270.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-(acetyloxymethyl)-3-trimethylsilylpenta-2,4-dienyl] acetate is sourced from PubChem (CID 134980171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).