2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate

C10H16O5 — CID 155660539

IUPAC2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OCC(O)CO
InChIInChI=1S/C10H16O5/c1-3-4-14-6-8(2)10(13)15-7-9(12)5-11/h3,9,11-12H,1-2,4-7H2
InChIKeyKVRRZAGBDZXAPF-UHFFFAOYSA-N
MW216.23 g/mol
LogP-0.36
Rot. Bonds8

About 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate

2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate (PubChem CID 155660539) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate
PubChem CID155660539
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate
SMILESC=CCOCC(=C)C(=O)OCC(O)CO
InChIInChI=1S/C10H16O5/c1-3-4-14-6-8(2)10(13)15-7-9(12)5-11/h3,9,11-12H,1-2,4-7H2
InChIKeyKVRRZAGBDZXAPF-UHFFFAOYSA-N
XLogP-0.36
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
2,3-dihydroxypropyl 2-methylprop-2-enoate;propane
CID 87556862
8-methylnonyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 165388739
dodecyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 87095136
2,3-dihydroxypropyl 2-methylideneoctanoate
CID 88502846
2,2-bis(hydroxymethyl)butanoic acid;2,3-dihydroxypropyl 2-methylprop-2-enoate;2-ethyl-2-(prop-2-enoxymethyl)propane-1,3-diol
CID 161151376
2,3-dihydroxypropyl 2,3-dioxopropanoate
CID 91585540
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
2,3-dihydroxypropyl (3R)-4-(2,3-dihydroxypropoxy)-3-hydroxybutanoate
CID 175521399

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The IUPAC name of 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate (CID 155660539) is 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate is C=CCOCC(=C)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate?
The InChIKey is KVRRZAGBDZXAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-3-4-14-6-8(2)10(13)15-7-9(12)5-11/h3,9,11-12H,1-2,4-7H2.
What are the key properties of 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate?
2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of -0.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-(prop-2-enoxymethyl)prop-2-enoate is sourced from PubChem (CID 155660539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).