5-acetyloct-7-enyl 2-methoxypropanoate

C14H24O4 — CID 59857917

IUPAC5-acetyloct-7-enyl 2-methoxypropanoate
SMILESC=CCC(CCCCOC(=O)C(C)OC)C(C)=O
InChIInChI=1S/C14H24O4/c1-5-8-13(11(2)15)9-6-7-10-18-14(16)12(3)17-4/h5,12-13H,1,6-10H2,2-4H3
InChIKeyKVNRXDCNOLMBFP-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.52
Rot. Bonds10

About 5-acetyloct-7-enyl 2-methoxypropanoate

5-acetyloct-7-enyl 2-methoxypropanoate (PubChem CID 59857917) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 5-acetyloct-7-enyl 2-methoxypropanoate.

Molecular Properties

Compound Name5-acetyloct-7-enyl 2-methoxypropanoate
PubChem CID59857917
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name5-acetyloct-7-enyl 2-methoxypropanoate
SMILESC=CCC(CCCCOC(=O)C(C)OC)C(C)=O
InChIInChI=1S/C14H24O4/c1-5-8-13(11(2)15)9-6-7-10-18-14(16)12(3)17-4/h5,12-13H,1,6-10H2,2-4H3
InChIKeyKVNRXDCNOLMBFP-UHFFFAOYSA-N
XLogP2.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.52
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 5-acetyloct-7-enyl 2-methoxypropanoate?
The IUPAC name of 5-acetyloct-7-enyl 2-methoxypropanoate (CID 59857917) is 5-acetyloct-7-enyl 2-methoxypropanoate.
What is the SMILES notation for 5-acetyloct-7-enyl 2-methoxypropanoate?
The canonical SMILES for 5-acetyloct-7-enyl 2-methoxypropanoate is C=CCC(CCCCOC(=O)C(C)OC)C(C)=O.
What is the InChIKey of 5-acetyloct-7-enyl 2-methoxypropanoate?
The InChIKey is KVNRXDCNOLMBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-8-13(11(2)15)9-6-7-10-18-14(16)12(3)17-4/h5,12-13H,1,6-10H2,2-4H3.
What are the key properties of 5-acetyloct-7-enyl 2-methoxypropanoate?
5-acetyloct-7-enyl 2-methoxypropanoate has a molecular weight of 256.34 g/mol, XLogP of 2.52, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyloct-7-enyl 2-methoxypropanoate is sourced from PubChem (CID 59857917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).