2-acetylpent-4-enyl 2-methoxypropanoate

C11H18O4 — CID 59857912

IUPAC2-acetylpent-4-enyl 2-methoxypropanoate
SMILESC=CCC(COC(=O)C(C)OC)C(C)=O
InChIInChI=1S/C11H18O4/c1-5-6-10(8(2)12)7-15-11(13)9(3)14-4/h5,9-10H,1,6-7H2,2-4H3
InChIKeySFWNTENVUQVVJJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.35
Rot. Bonds7

About 2-acetylpent-4-enyl 2-methoxypropanoate

2-acetylpent-4-enyl 2-methoxypropanoate (PubChem CID 59857912) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-acetylpent-4-enyl 2-methoxypropanoate.

Molecular Properties

Compound Name2-acetylpent-4-enyl 2-methoxypropanoate
PubChem CID59857912
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-acetylpent-4-enyl 2-methoxypropanoate
SMILESC=CCC(COC(=O)C(C)OC)C(C)=O
InChIInChI=1S/C11H18O4/c1-5-6-10(8(2)12)7-15-11(13)9(3)14-4/h5,9-10H,1,6-7H2,2-4H3
InChIKeySFWNTENVUQVVJJ-UHFFFAOYSA-N
XLogP1.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-acetylpent-4-enyl 2-methoxypropanoate?
The IUPAC name of 2-acetylpent-4-enyl 2-methoxypropanoate (CID 59857912) is 2-acetylpent-4-enyl 2-methoxypropanoate.
What is the SMILES notation for 2-acetylpent-4-enyl 2-methoxypropanoate?
The canonical SMILES for 2-acetylpent-4-enyl 2-methoxypropanoate is C=CCC(COC(=O)C(C)OC)C(C)=O.
What is the InChIKey of 2-acetylpent-4-enyl 2-methoxypropanoate?
The InChIKey is SFWNTENVUQVVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-5-6-10(8(2)12)7-15-11(13)9(3)14-4/h5,9-10H,1,6-7H2,2-4H3.
What are the key properties of 2-acetylpent-4-enyl 2-methoxypropanoate?
2-acetylpent-4-enyl 2-methoxypropanoate has a molecular weight of 214.26 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylpent-4-enyl 2-methoxypropanoate is sourced from PubChem (CID 59857912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).