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

C10H16O3 — CID 10888613

IUPACmethyl 5-(2,5-dihydrofuran-2-yl)pentanoate
SMILESCOC(=O)CCCCC1C=CCO1
InChIInChI=1S/C10H16O3/c1-12-10(11)7-3-2-5-9-6-4-8-13-9/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyQVKOXSAXDRECIC-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds5

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

methyl 5-(2,5-dihydrofuran-2-yl)pentanoate (PubChem CID 10888613) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is methyl 5-(2,5-dihydrofuran-2-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(2,5-dihydrofuran-2-yl)pentanoate
PubChem CID10888613
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namemethyl 5-(2,5-dihydrofuran-2-yl)pentanoate
SMILESCOC(=O)CCCCC1C=CCO1
InChIInChI=1S/C10H16O3/c1-12-10(11)7-3-2-5-9-6-4-8-13-9/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyQVKOXSAXDRECIC-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 5-(2,5-dihydrofuran-2-yl)pentanoate?
The IUPAC name of methyl 5-(2,5-dihydrofuran-2-yl)pentanoate (CID 10888613) is methyl 5-(2,5-dihydrofuran-2-yl)pentanoate.
What is the SMILES notation for methyl 5-(2,5-dihydrofuran-2-yl)pentanoate?
The canonical SMILES for methyl 5-(2,5-dihydrofuran-2-yl)pentanoate is COC(=O)CCCCC1C=CCO1.
What is the InChIKey of methyl 5-(2,5-dihydrofuran-2-yl)pentanoate?
The InChIKey is QVKOXSAXDRECIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-10(11)7-3-2-5-9-6-4-8-13-9/h4,6,9H,2-3,5,7-8H2,1H3.
What are the key properties of methyl 5-(2,5-dihydrofuran-2-yl)pentanoate?
methyl 5-(2,5-dihydrofuran-2-yl)pentanoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,5-dihydrofuran-2-yl)pentanoate is sourced from PubChem (CID 10888613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).