bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate

C10H14O6 — CID 13348842

IUPACbis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESC=CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC=C
InChIInChI=1S/C10H14O6/c1-3-5-15-9(13)7(11)8(12)10(14)16-6-4-2/h3-4,7-8,11-12H,1-2,5-6H2/t7-,8-/m1/s1
InChIKeyVPPSHXIFIAJKMX-HTQZYQBOSA-N
MW230.22 g/mol
LogP-0.83
Rot. Bonds7

About bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate

bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 13348842) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate
PubChem CID13348842
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Namebis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate
SMILESC=CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC=C
InChIInChI=1S/C10H14O6/c1-3-5-15-9(13)7(11)8(12)10(14)16-6-4-2/h3-4,7-8,11-12H,1-2,5-6H2/t7-,8-/m1/s1
InChIKeyVPPSHXIFIAJKMX-HTQZYQBOSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate (CID 13348842) is bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate is C=CCOC(=O)[C@H](O)[C@@H](O)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is VPPSHXIFIAJKMX-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14O6/c1-3-5-15-9(13)7(11)8(12)10(14)16-6-4-2/h3-4,7-8,11-12H,1-2,5-6H2/t7-,8-/m1/s1.
What are the key properties of bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate?
bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate 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 bis(prop-2-enyl) (2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 13348842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).