2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate

C10H16O6 — CID 144910594

IUPAC2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC1OC(O)CCC1O
InChIInChI=1S/C10H16O6/c1-2-8(12)14-5-6-15-10-7(11)3-4-9(13)16-10/h2,7,9-11,13H,1,3-6H2
InChIKeyIILAEDOHMWJOMP-UHFFFAOYSA-N
MW232.23 g/mol
LogP-0.45
Rot. Bonds5

About 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate

2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate (PubChem CID 144910594) has the molecular formula C10H16O6 and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate
PubChem CID144910594
Molecular FormulaC10H16O6
Molecular Weight232.23 g/mol
Exact Mass232.09
IUPAC Name2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate
SMILESC=CC(=O)OCCOC1OC(O)CCC1O
InChIInChI=1S/C10H16O6/c1-2-8(12)14-5-6-15-10-7(11)3-4-9(13)16-10/h2,7,9-11,13H,1,3-6H2
InChIKeyIILAEDOHMWJOMP-UHFFFAOYSA-N
XLogP-0.45
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate?
The IUPAC name of 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate (CID 144910594) is 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate.
What is the SMILES notation for 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate?
The canonical SMILES for 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate is C=CC(=O)OCCOC1OC(O)CCC1O.
What is the InChIKey of 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate?
The InChIKey is IILAEDOHMWJOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O6/c1-2-8(12)14-5-6-15-10-7(11)3-4-9(13)16-10/h2,7,9-11,13H,1,3-6H2.
What are the key properties of 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate?
2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate has a molecular weight of 232.23 g/mol, XLogP of -0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydroxyoxan-2-yl)oxyethyl prop-2-enoate is sourced from PubChem (CID 144910594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).