4-acetyltetradec-13-enyl 2-methoxypropanoate

C20H36O4 — CID 58838615

IUPAC4-acetyltetradec-13-enyl 2-methoxypropanoate
SMILESC=CCCCCCCCCC(CCCOC(=O)C(C)OC)C(C)=O
InChIInChI=1S/C20H36O4/c1-5-6-7-8-9-10-11-12-14-19(17(2)21)15-13-16-24-20(22)18(3)23-4/h5,18-19H,1,6-16H2,2-4H3
InChIKeyDLGKTKYHCKPTIE-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.86
Rot. Bonds16

About 4-acetyltetradec-13-enyl 2-methoxypropanoate

4-acetyltetradec-13-enyl 2-methoxypropanoate (PubChem CID 58838615) has the molecular formula C20H36O4 and a molecular weight of 340.50 g/mol. Its IUPAC name is 4-acetyltetradec-13-enyl 2-methoxypropanoate.

Molecular Properties

Compound Name4-acetyltetradec-13-enyl 2-methoxypropanoate
PubChem CID58838615
Molecular FormulaC20H36O4
Molecular Weight340.50 g/mol
Exact Mass340.26
IUPAC Name4-acetyltetradec-13-enyl 2-methoxypropanoate
SMILESC=CCCCCCCCCC(CCCOC(=O)C(C)OC)C(C)=O
InChIInChI=1S/C20H36O4/c1-5-6-7-8-9-10-11-12-14-19(17(2)21)15-13-16-24-20(22)18(3)23-4/h5,18-19H,1,6-16H2,2-4H3
InChIKeyDLGKTKYHCKPTIE-UHFFFAOYSA-N
XLogP4.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetyltetradec-13-enyl 2-methoxypropanoate?
The IUPAC name of 4-acetyltetradec-13-enyl 2-methoxypropanoate (CID 58838615) is 4-acetyltetradec-13-enyl 2-methoxypropanoate.
What is the SMILES notation for 4-acetyltetradec-13-enyl 2-methoxypropanoate?
The canonical SMILES for 4-acetyltetradec-13-enyl 2-methoxypropanoate is C=CCCCCCCCCC(CCCOC(=O)C(C)OC)C(C)=O.
What is the InChIKey of 4-acetyltetradec-13-enyl 2-methoxypropanoate?
The InChIKey is DLGKTKYHCKPTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O4/c1-5-6-7-8-9-10-11-12-14-19(17(2)21)15-13-16-24-20(22)18(3)23-4/h5,18-19H,1,6-16H2,2-4H3.
What are the key properties of 4-acetyltetradec-13-enyl 2-methoxypropanoate?
4-acetyltetradec-13-enyl 2-methoxypropanoate has a molecular weight of 340.50 g/mol, XLogP of 4.86, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyltetradec-13-enyl 2-methoxypropanoate is sourced from PubChem (CID 58838615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).