propanedioate;(E)-stilbene

C17H14O4-2 — CID 19773481

IUPACpropanedioate;(E)-stilbene
SMILESC(=C/c1ccccc1)\c1ccccc1.O=C([O-])CC(=O)[O-]
InChIInChI=1S/C14H12.C3H4O4/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;4-2(5)1-3(6)7/h1-12H;1H2,(H,4,5)(H,6,7)/p-2/b12-11+;
InChIKeyBSPLUVOBJKMOIV-CALJPSDSSA-L
MW282.30 g/mol
LogP0.73
Rot. Bonds4

About propanedioate;(E)-stilbene

propanedioate;(E)-stilbene (PubChem CID 19773481) has the molecular formula C17H14O4-2 and a molecular weight of 282.30 g/mol. Its IUPAC name is propanedioate;(E)-stilbene.

Molecular Properties

Compound Namepropanedioate;(E)-stilbene
PubChem CID19773481
Molecular FormulaC17H14O4-2
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Namepropanedioate;(E)-stilbene
SMILESC(=C/c1ccccc1)\c1ccccc1.O=C([O-])CC(=O)[O-]
InChIInChI=1S/C14H12.C3H4O4/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;4-2(5)1-3(6)7/h1-12H;1H2,(H,4,5)(H,6,7)/p-2/b12-11+;
InChIKeyBSPLUVOBJKMOIV-CALJPSDSSA-L
XLogP0.73
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc bis(4-phenylbut-3-enoate)
CID 66673127
acetic acid;stilbene
CID 172803728
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
tetrakis(3-phenylprop-2-enoate);tin(4+)
CID 157178082
sodium (Z)-3-phenylprop-2-enoate
CID 23717933
barium(2+);bis(3-phenylprop-2-enoate)
CID 57371058
europium(2+);bis(3-phenylprop-2-enoate)
CID 173196474
lithium 3-phenylprop-2-enoate
CID 67041801
2,4-dioxo-6-phenylhex-5-enoic acid
CID 54380615
potassium 2-oxo-4-phenylbut-3-enoate
CID 67784014
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-4-phenylbut-3-enoate
CID 176539438

Frequently Asked Questions

What is the IUPAC name of propanedioate;(E)-stilbene?
The IUPAC name of propanedioate;(E)-stilbene (CID 19773481) is propanedioate;(E)-stilbene.
What is the SMILES notation for propanedioate;(E)-stilbene?
The canonical SMILES for propanedioate;(E)-stilbene is C(=C/c1ccccc1)\c1ccccc1.O=C([O-])CC(=O)[O-].
What is the InChIKey of propanedioate;(E)-stilbene?
The InChIKey is BSPLUVOBJKMOIV-CALJPSDSSA-L. The full InChI is InChI=1S/C14H12.C3H4O4/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;4-2(5)1-3(6)7/h1-12H;1H2,(H,4,5)(H,6,7)/p-2/b12-11+;.
What are the key properties of propanedioate;(E)-stilbene?
propanedioate;(E)-stilbene has a molecular weight of 282.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanedioate;(E)-stilbene is sourced from PubChem (CID 19773481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).