decanedioic acid;prop-2-enoic acid

C13H22O6 — CID 87433899

IUPACdecanedioic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C3H4O2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3(4)5/h1-8H2,(H,11,12)(H,13,14);2H,1H2,(H,4,5)
InChIKeyBEGCZKJQMOXCCP-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.53
Rot. Bonds10

About decanedioic acid;prop-2-enoic acid

decanedioic acid;prop-2-enoic acid (PubChem CID 87433899) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is decanedioic acid;prop-2-enoic acid.

Molecular Properties

Compound Namedecanedioic acid;prop-2-enoic acid
PubChem CID87433899
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Namedecanedioic acid;prop-2-enoic acid
SMILESC=CC(=O)O.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.C3H4O2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3(4)5/h1-8H2,(H,11,12)(H,13,14);2H,1H2,(H,4,5)
InChIKeyBEGCZKJQMOXCCP-UHFFFAOYSA-N
XLogP2.53
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.53
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

octadecanoic acid;bis(prop-2-enoic acid);zinc
CID 173129108
buta-1,3-diene;decanedioic acid
CID 87614862
11-oxotridec-12-enoic acid
CID 3032036
heptakis(decanedioic acid);ethene
CID 173236204
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
heptadecanedioic acid
CID 3083765
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;prop-2-enoic acid?
The IUPAC name of decanedioic acid;prop-2-enoic acid (CID 87433899) is decanedioic acid;prop-2-enoic acid.
What is the SMILES notation for decanedioic acid;prop-2-enoic acid?
The canonical SMILES for decanedioic acid;prop-2-enoic acid is C=CC(=O)O.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;prop-2-enoic acid?
The InChIKey is BEGCZKJQMOXCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C3H4O2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;1-2-3(4)5/h1-8H2,(H,11,12)(H,13,14);2H,1H2,(H,4,5).
What are the key properties of decanedioic acid;prop-2-enoic acid?
decanedioic acid;prop-2-enoic acid has a molecular weight of 274.31 g/mol, XLogP of 2.53, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;prop-2-enoic acid is sourced from PubChem (CID 87433899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).