but-2-enedioic acid;decanoic acid

C14H24O6 — CID 173319986

IUPACbut-2-enedioic acid;decanoic acid
SMILESCCCCCCCCCC(=O)O.O=C(O)C=CC(=O)O
InChIInChI=1S/C10H20O2.C4H4O4/c1-2-3-4-5-6-7-8-9-10(11)12;5-3(6)1-2-4(7)8/h2-9H2,1H3,(H,11,12);1-2H,(H,5,6)(H,7,8)
InChIKeyROJKSJCYOFGVNF-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.92
Rot. Bonds10

About but-2-enedioic acid;decanoic acid

but-2-enedioic acid;decanoic acid (PubChem CID 173319986) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is but-2-enedioic acid;decanoic acid.

Molecular Properties

Compound Namebut-2-enedioic acid;decanoic acid
PubChem CID173319986
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Namebut-2-enedioic acid;decanoic acid
SMILESCCCCCCCCCC(=O)O.O=C(O)C=CC(=O)O
InChIInChI=1S/C10H20O2.C4H4O4/c1-2-3-4-5-6-7-8-9-10(11)12;5-3(6)1-2-4(7)8/h2-9H2,1H3,(H,11,12);1-2H,(H,5,6)(H,7,8)
InChIKeyROJKSJCYOFGVNF-UHFFFAOYSA-N
XLogP2.92
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;docosanoic acid
CID 175696241
(Z)-but-2-enedioic acid;hexadecanoic acid
CID 160962830
(Z)-but-2-enedioic acid;decanoic acid
CID 172806359
potassium;(E)-but-2-enedioic acid;hydride;octadecanoic acid
CID 174787387
hexadecanoic acid;pentanedioic acid
CID 159789250
acetic acid;decanoic acid
CID 159015360
CID 131882435
CID 131882435
pentacosanoic acid
CID 10468
henicosane;tetracontanoic acid
CID 175935348
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;decanoic acid?
The IUPAC name of but-2-enedioic acid;decanoic acid (CID 173319986) is but-2-enedioic acid;decanoic acid.
What is the SMILES notation for but-2-enedioic acid;decanoic acid?
The canonical SMILES for but-2-enedioic acid;decanoic acid is CCCCCCCCCC(=O)O.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;decanoic acid?
The InChIKey is ROJKSJCYOFGVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C4H4O4/c1-2-3-4-5-6-7-8-9-10(11)12;5-3(6)1-2-4(7)8/h2-9H2,1H3,(H,11,12);1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;decanoic acid?
but-2-enedioic acid;decanoic acid has a molecular weight of 288.34 g/mol, XLogP of 2.92, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;decanoic acid is sourced from PubChem (CID 173319986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).