dipropanoyl (Z)-but-2-enedioate

C10H12O6 — CID 88688365

IUPACdipropanoyl (Z)-but-2-enedioate
SMILESCCC(=O)OC(=O)/C=C\C(=O)OC(=O)CC
InChIInChI=1S/C10H12O6/c1-3-7(11)15-9(13)5-6-10(14)16-8(12)4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyFVKNTNNYQQFUCO-WAYWQWQTSA-N
MW228.20 g/mol
LogP0.50
Rot. Bonds4

About dipropanoyl (Z)-but-2-enedioate

dipropanoyl (Z)-but-2-enedioate (PubChem CID 88688365) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is dipropanoyl (Z)-but-2-enedioate.

Molecular Properties

Compound Namedipropanoyl (Z)-but-2-enedioate
PubChem CID88688365
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Namedipropanoyl (Z)-but-2-enedioate
SMILESCCC(=O)OC(=O)/C=C\C(=O)OC(=O)CC
InChIInChI=1S/C10H12O6/c1-3-7(11)15-9(13)5-6-10(14)16-8(12)4-2/h5-6H,3-4H2,1-2H3/b6-5-
InChIKeyFVKNTNNYQQFUCO-WAYWQWQTSA-N
XLogP0.50
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-O-octyl 4-O-propanoyl (Z)-but-2-enedioate
CID 174453010
propanoyl (113C)propanoate
CID 91179573
dihexadecanoyl but-2-enedioate
CID 90876992
dihexadecanoyl (Z)-but-2-enedioate
CID 87225490
bis[2-(methylamino)acetyl] (Z)-but-2-enedioate
CID 88841702
4-[4-(3-carboxyprop-2-enoyloxy)-4-oxobutanoyl]oxy-4-oxobut-2-enoic acid
CID 123873468
dipropanoyl butanedioate
CID 146216618
4-O-[(Z)-4-ethoxy-4-oxobut-2-enoyl]oxycarbonyl 1-O-ethyl (Z)-but-2-enedioate
CID 175217873
4-hexadecanoyloxy-4-oxobut-2-enoic acid
CID 91150907
but-2-enoyl pentanoate
CID 57274282
acetyl propanoate;cobalt
CID 88660334
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268

Frequently Asked Questions

What is the IUPAC name of dipropanoyl (Z)-but-2-enedioate?
The IUPAC name of dipropanoyl (Z)-but-2-enedioate (CID 88688365) is dipropanoyl (Z)-but-2-enedioate.
What is the SMILES notation for dipropanoyl (Z)-but-2-enedioate?
The canonical SMILES for dipropanoyl (Z)-but-2-enedioate is CCC(=O)OC(=O)/C=C\C(=O)OC(=O)CC.
What is the InChIKey of dipropanoyl (Z)-but-2-enedioate?
The InChIKey is FVKNTNNYQQFUCO-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H12O6/c1-3-7(11)15-9(13)5-6-10(14)16-8(12)4-2/h5-6H,3-4H2,1-2H3/b6-5-.
What are the key properties of dipropanoyl (Z)-but-2-enedioate?
dipropanoyl (Z)-but-2-enedioate has a molecular weight of 228.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropanoyl (Z)-but-2-enedioate is sourced from PubChem (CID 88688365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).