decanoic acid;bis(nonanoic acid)

C28H56O6 — CID 159376136

IUPACdecanoic acid;bis(nonanoic acid)
SMILESCCCCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.2C9H18O2/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-2-3-4-5-6-7-8-9(10)11/h2-9H2,1H3,(H,11,12);2*2-8H2,1H3,(H,10,11)
InChIKeyLKILUVVVUXVCIC-UHFFFAOYSA-N
MW488.75 g/mol
LogP8.85
Rot. Bonds22

About decanoic acid;bis(nonanoic acid)

decanoic acid;bis(nonanoic acid) (PubChem CID 159376136) has the molecular formula C28H56O6 and a molecular weight of 488.75 g/mol. Its IUPAC name is decanoic acid;bis(nonanoic acid).

Molecular Properties

Compound Namedecanoic acid;bis(nonanoic acid)
PubChem CID159376136
Molecular FormulaC28H56O6
Molecular Weight488.75 g/mol
Exact Mass488.41
IUPAC Namedecanoic acid;bis(nonanoic acid)
SMILESCCCCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.2C9H18O2/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-2-3-4-5-6-7-8-9(10)11/h2-9H2,1H3,(H,11,12);2*2-8H2,1H3,(H,10,11)
InChIKeyLKILUVVVUXVCIC-UHFFFAOYSA-N
XLogP8.85
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.75
LogP ≤ 58.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
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
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of decanoic acid;bis(nonanoic acid)?
The IUPAC name of decanoic acid;bis(nonanoic acid) (CID 159376136) is decanoic acid;bis(nonanoic acid).
What is the SMILES notation for decanoic acid;bis(nonanoic acid)?
The canonical SMILES for decanoic acid;bis(nonanoic acid) is CCCCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid;bis(nonanoic acid)?
The InChIKey is LKILUVVVUXVCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.2C9H18O2/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-2-3-4-5-6-7-8-9(10)11/h2-9H2,1H3,(H,11,12);2*2-8H2,1H3,(H,10,11).
What are the key properties of decanoic acid;bis(nonanoic acid)?
decanoic acid;bis(nonanoic acid) has a molecular weight of 488.75 g/mol, XLogP of 8.85, 22 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;bis(nonanoic acid) is sourced from PubChem (CID 159376136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).