(4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate

C11H16O5 — CID 58957373

IUPAC(4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate
SMILESC=C1C(=O)OCC1OC(=O)CCCCCO
InChIInChI=1S/C11H16O5/c1-8-9(7-15-11(8)14)16-10(13)5-3-2-4-6-12/h9,12H,1-7H2
InChIKeyLAELNQYEKKPQTI-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.56
Rot. Bonds6

About (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate

(4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate (PubChem CID 58957373) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate.

Molecular Properties

Compound Name(4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate
PubChem CID58957373
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate
SMILESC=C1C(=O)OCC1OC(=O)CCCCCO
InChIInChI=1S/C11H16O5/c1-8-9(7-15-11(8)14)16-10(13)5-3-2-4-6-12/h9,12H,1-7H2
InChIKeyLAELNQYEKKPQTI-UHFFFAOYSA-N
XLogP0.56
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate?
The IUPAC name of (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate (CID 58957373) is (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate.
What is the SMILES notation for (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate?
The canonical SMILES for (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate is C=C1C(=O)OCC1OC(=O)CCCCCO.
What is the InChIKey of (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate?
The InChIKey is LAELNQYEKKPQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-8-9(7-15-11(8)14)16-10(13)5-3-2-4-6-12/h9,12H,1-7H2.
What are the key properties of (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate?
(4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate has a molecular weight of 228.24 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidene-5-oxooxolan-3-yl) 6-hydroxyhexanoate is sourced from PubChem (CID 58957373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).