docosanoic acid;bis(tetracosanoic acid)

C92H184O8 — CID 161141504

IUPACdocosanoic acid;bis(tetracosanoic acid)
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/2C24H48O2.2C22H44O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2*2-23H2,1H3,(H,25,26);2*2-21H2,1H3,(H,23,24)
InChIKeyUNMVTLOOYUIUQX-UHFFFAOYSA-N
MW1418.48 g/mol
LogP33.13
Rot. Bonds84

About docosanoic acid;bis(tetracosanoic acid)

docosanoic acid;bis(tetracosanoic acid) (PubChem CID 161141504) has the molecular formula C92H184O8 and a molecular weight of 1418.48 g/mol. Its IUPAC name is docosanoic acid;bis(tetracosanoic acid).

Molecular Properties

Compound Namedocosanoic acid;bis(tetracosanoic acid)
PubChem CID161141504
Molecular FormulaC92H184O8
Molecular Weight1418.48 g/mol
Exact Mass1417.40
IUPAC Namedocosanoic acid;bis(tetracosanoic acid)
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/2C24H48O2.2C22H44O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2*2-23H2,1H3,(H,25,26);2*2-21H2,1H3,(H,23,24)
InChIKeyUNMVTLOOYUIUQX-UHFFFAOYSA-N
XLogP33.13
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds84
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001418.48
LogP ≤ 533.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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
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 docosanoic acid;bis(tetracosanoic acid)?
The IUPAC name of docosanoic acid;bis(tetracosanoic acid) (CID 161141504) is docosanoic acid;bis(tetracosanoic acid).
What is the SMILES notation for docosanoic acid;bis(tetracosanoic acid)?
The canonical SMILES for docosanoic acid;bis(tetracosanoic acid) is CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of docosanoic acid;bis(tetracosanoic acid)?
The InChIKey is UNMVTLOOYUIUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H48O2.2C22H44O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2*2-23H2,1H3,(H,25,26);2*2-21H2,1H3,(H,23,24).
What are the key properties of docosanoic acid;bis(tetracosanoic acid)?
docosanoic acid;bis(tetracosanoic acid) has a molecular weight of 1418.48 g/mol, XLogP of 33.13, 84 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for docosanoic acid;bis(tetracosanoic acid) is sourced from PubChem (CID 161141504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).