bis(prop-2-enyl) 2-hydroxypropanedioate

C9H12O5 — CID 14329928

IUPACbis(prop-2-enyl) 2-hydroxypropanedioate
SMILESC=CCOC(=O)C(O)C(=O)OCC=C
InChIInChI=1S/C9H12O5/c1-3-5-13-8(11)7(10)9(12)14-6-4-2/h3-4,7,10H,1-2,5-6H2
InChIKeyRTWDJXNURPUDCV-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.19
Rot. Bonds6

About bis(prop-2-enyl) 2-hydroxypropanedioate

bis(prop-2-enyl) 2-hydroxypropanedioate (PubChem CID 14329928) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is bis(prop-2-enyl) 2-hydroxypropanedioate.

Molecular Properties

Compound Namebis(prop-2-enyl) 2-hydroxypropanedioate
PubChem CID14329928
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namebis(prop-2-enyl) 2-hydroxypropanedioate
SMILESC=CCOC(=O)C(O)C(=O)OCC=C
InChIInChI=1S/C9H12O5/c1-3-5-13-8(11)7(10)9(12)14-6-4-2/h3-4,7,10H,1-2,5-6H2
InChIKeyRTWDJXNURPUDCV-UHFFFAOYSA-N
XLogP-0.19
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl (2S)-2,3-dihydroxy-3-methylbutanoate
CID 11401049
prop-2-enyl 2-hydroxy-4-methylpentanoate
CID 18724155
bis(prop-2-enyl) carbonate;ethene
CID 87465968
prop-2-enyl (2S)-3-methyl-2-nitrosobutanoate
CID 166857606
bis(prop-2-enyl) 2-aminobutanedioate
CID 3883747
[(2S)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium chloride
CID 10877479
ethane;propane;prop-2-enyl 2-methylpropanoate
CID 158123161
CID 58877383
CID 58877383
prop-2-enyl 2-methylpent-4-enoate
CID 59817388
prop-2-enyl 3-hydroxybutanoate
CID 14360290
prop-2-enyl (2S)-3-amino-2-methylpropanoate
CID 59815575

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) 2-hydroxypropanedioate?
The IUPAC name of bis(prop-2-enyl) 2-hydroxypropanedioate (CID 14329928) is bis(prop-2-enyl) 2-hydroxypropanedioate.
What is the SMILES notation for bis(prop-2-enyl) 2-hydroxypropanedioate?
The canonical SMILES for bis(prop-2-enyl) 2-hydroxypropanedioate is C=CCOC(=O)C(O)C(=O)OCC=C.
What is the InChIKey of bis(prop-2-enyl) 2-hydroxypropanedioate?
The InChIKey is RTWDJXNURPUDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-3-5-13-8(11)7(10)9(12)14-6-4-2/h3-4,7,10H,1-2,5-6H2.
What are the key properties of bis(prop-2-enyl) 2-hydroxypropanedioate?
bis(prop-2-enyl) 2-hydroxypropanedioate has a molecular weight of 200.19 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) 2-hydroxypropanedioate is sourced from PubChem (CID 14329928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).