dodecanoic acid;imidazolidine-2,4-dione

C15H28N2O4 — CID 174508085

IUPACdodecanoic acid;imidazolidine-2,4-dione
SMILESCCCCCCCCCCCC(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C12H24O2.C3H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-2-1-4-3(7)5-2/h2-11H2,1H3,(H,13,14);1H2,(H2,4,5,6,7)
InChIKeySGFAAJRKDVZIOL-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.82
Rot. Bonds10

About dodecanoic acid;imidazolidine-2,4-dione

dodecanoic acid;imidazolidine-2,4-dione (PubChem CID 174508085) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is dodecanoic acid;imidazolidine-2,4-dione.

Molecular Properties

Compound Namedodecanoic acid;imidazolidine-2,4-dione
PubChem CID174508085
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namedodecanoic acid;imidazolidine-2,4-dione
SMILESCCCCCCCCCCCC(=O)O.O=C1CNC(=O)N1
InChIInChI=1S/C12H24O2.C3H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-2-1-4-3(7)5-2/h2-11H2,1H3,(H,13,14);1H2,(H2,4,5,6,7)
InChIKeySGFAAJRKDVZIOL-UHFFFAOYSA-N
XLogP2.82
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of dodecanoic acid;imidazolidine-2,4-dione?
The IUPAC name of dodecanoic acid;imidazolidine-2,4-dione (CID 174508085) is dodecanoic acid;imidazolidine-2,4-dione.
What is the SMILES notation for dodecanoic acid;imidazolidine-2,4-dione?
The canonical SMILES for dodecanoic acid;imidazolidine-2,4-dione is CCCCCCCCCCCC(=O)O.O=C1CNC(=O)N1.
What is the InChIKey of dodecanoic acid;imidazolidine-2,4-dione?
The InChIKey is SGFAAJRKDVZIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2.C3H4N2O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-2-1-4-3(7)5-2/h2-11H2,1H3,(H,13,14);1H2,(H2,4,5,6,7).
What are the key properties of dodecanoic acid;imidazolidine-2,4-dione?
dodecanoic acid;imidazolidine-2,4-dione has a molecular weight of 300.40 g/mol, XLogP of 2.82, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoic acid;imidazolidine-2,4-dione is sourced from PubChem (CID 174508085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).