dipropyl (E)-but-2-enedioate

C10H16O4 — CID 5271568

IUPACdipropyl (E)-but-2-enedioate
SMILESCCCOC(=O)/C=C/C(=O)OCCC
InChIInChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyDSTWFRCNXMNXTR-AATRIKPKSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds6

About dipropyl (E)-but-2-enedioate

dipropyl (E)-but-2-enedioate (PubChem CID 5271568) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is dipropyl (E)-but-2-enedioate.

Molecular Properties

Compound Namedipropyl (E)-but-2-enedioate
PubChem CID5271568
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namedipropyl (E)-but-2-enedioate
SMILESCCCOC(=O)/C=C/C(=O)OCCC
InChIInChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+
InChIKeyDSTWFRCNXMNXTR-AATRIKPKSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dipropyl (E)-but-2-enedioate?
The IUPAC name of dipropyl (E)-but-2-enedioate (CID 5271568) is dipropyl (E)-but-2-enedioate.
What is the SMILES notation for dipropyl (E)-but-2-enedioate?
The canonical SMILES for dipropyl (E)-but-2-enedioate is CCCOC(=O)/C=C/C(=O)OCCC.
What is the InChIKey of dipropyl (E)-but-2-enedioate?
The InChIKey is DSTWFRCNXMNXTR-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+.
What are the key properties of dipropyl (E)-but-2-enedioate?
dipropyl (E)-but-2-enedioate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl (E)-but-2-enedioate is sourced from PubChem (CID 5271568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).