3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate

C10H12O6 — CID 139755528

IUPAC3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate
SMILESC=C(C(=O)OCCCO)C1CC(=O)OC1=O
InChIInChI=1S/C10H12O6/c1-6(9(13)15-4-2-3-11)7-5-8(12)16-10(7)14/h7,11H,1-5H2
InChIKeyZNMZRIHPYOWPIP-UHFFFAOYSA-N
MW228.20 g/mol
LogP-0.44
Rot. Bonds5

About 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate

3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate (PubChem CID 139755528) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate.

Molecular Properties

Compound Name3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate
PubChem CID139755528
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Name3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate
SMILESC=C(C(=O)OCCCO)C1CC(=O)OC1=O
InChIInChI=1S/C10H12O6/c1-6(9(13)15-4-2-3-11)7-5-8(12)16-10(7)14/h7,11H,1-5H2
InChIKeyZNMZRIHPYOWPIP-UHFFFAOYSA-N
XLogP-0.44
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate?
The IUPAC name of 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate (CID 139755528) is 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate.
What is the SMILES notation for 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate?
The canonical SMILES for 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate is C=C(C(=O)OCCCO)C1CC(=O)OC1=O.
What is the InChIKey of 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate?
The InChIKey is ZNMZRIHPYOWPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O6/c1-6(9(13)15-4-2-3-11)7-5-8(12)16-10(7)14/h7,11H,1-5H2.
What are the key properties of 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate?
3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate has a molecular weight of 228.20 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl 2-(2,5-dioxooxolan-3-yl)prop-2-enoate is sourced from PubChem (CID 139755528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).