(5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate

C14H22O5 — CID 19107834

IUPAC(5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate
SMILESCCCCC(=O)OC1C=CC(OC(=O)CCCC)O1
InChIInChI=1S/C14H22O5/c1-3-5-7-11(15)17-13-9-10-14(19-13)18-12(16)8-6-4-2/h9-10,13-14H,3-8H2,1-2H3
InChIKeySWHJJVDSQJOMKD-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.69
Rot. Bonds8

About (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate

(5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate (PubChem CID 19107834) has the molecular formula C14H22O5 and a molecular weight of 270.32 g/mol. Its IUPAC name is (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate.

Molecular Properties

Compound Name(5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate
PubChem CID19107834
Molecular FormulaC14H22O5
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name(5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate
SMILESCCCCC(=O)OC1C=CC(OC(=O)CCCC)O1
InChIInChI=1S/C14H22O5/c1-3-5-7-11(15)17-13-9-10-14(19-13)18-12(16)8-6-4-2/h9-10,13-14H,3-8H2,1-2H3
InChIKeySWHJJVDSQJOMKD-UHFFFAOYSA-N
XLogP2.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate?
The IUPAC name of (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate (CID 19107834) is (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate.
What is the SMILES notation for (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate?
The canonical SMILES for (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate is CCCCC(=O)OC1C=CC(OC(=O)CCCC)O1.
What is the InChIKey of (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate?
The InChIKey is SWHJJVDSQJOMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O5/c1-3-5-7-11(15)17-13-9-10-14(19-13)18-12(16)8-6-4-2/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate?
(5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate has a molecular weight of 270.32 g/mol, XLogP of 2.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pentanoyloxy-2,5-dihydrofuran-2-yl) pentanoate is sourced from PubChem (CID 19107834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).