(2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate

C10H14O6 — CID 19428969

IUPAC(2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate
SMILESC=CC(=O)OCC(O)C(O)COC(=O)C=C
InChIInChI=1S/C10H14O6/c1-3-9(13)15-5-7(11)8(12)6-16-10(14)4-2/h3-4,7-8,11-12H,1-2,5-6H2
InChIKeyORVTXFRHPYPYBN-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.83
Rot. Bonds7

About (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate

(2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate (PubChem CID 19428969) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate.

Molecular Properties

Compound Name(2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate
PubChem CID19428969
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name(2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate
SMILESC=CC(=O)OCC(O)C(O)COC(=O)C=C
InChIInChI=1S/C10H14O6/c1-3-9(13)15-5-7(11)8(12)6-16-10(14)4-2/h3-4,7-8,11-12H,1-2,5-6H2
InChIKeyORVTXFRHPYPYBN-UHFFFAOYSA-N
XLogP-0.83
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate?
The IUPAC name of (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate (CID 19428969) is (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate.
What is the SMILES notation for (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate?
The canonical SMILES for (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate is C=CC(=O)OCC(O)C(O)COC(=O)C=C.
What is the InChIKey of (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate?
The InChIKey is ORVTXFRHPYPYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-3-9(13)15-5-7(11)8(12)6-16-10(14)4-2/h3-4,7-8,11-12H,1-2,5-6H2.
What are the key properties of (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate?
(2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate has a molecular weight of 230.22 g/mol, XLogP of -0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxy-4-prop-2-enoyloxybutyl) prop-2-enoate is sourced from PubChem (CID 19428969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).