decanedioic acid

C10H18O4 — CID 5192

IUPACdecanedioic acid
SMILESO=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKeyCXMXRPHRNRROMY-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.28
Rot. Bonds9

About decanedioic acid

decanedioic acid (PubChem CID 5192) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is decanedioic acid.

Molecular Properties

Compound Namedecanedioic acid
PubChem CID5192
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namedecanedioic acid
SMILESO=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
InChIKeyCXMXRPHRNRROMY-UHFFFAOYSA-N
XLogP2.28
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octanoic Acid
CID 379
Decanoic Acid
CID 2969
Lauric Acid
CID 3893
Nonanoic Acid
CID 8158
Palmitic Acid
CID 985
Azelaic Acid
CID 2266
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Myristic Acid
CID 11005
Undecanoic Acid
CID 8180
Docosanoic Acid
CID 8215
Dodecanedioic Acid
CID 12736

Frequently Asked Questions

What is the IUPAC name of decanedioic acid?
The IUPAC name of decanedioic acid (CID 5192) is decanedioic acid.
What is the SMILES notation for decanedioic acid?
The canonical SMILES for decanedioic acid is O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid?
The InChIKey is CXMXRPHRNRROMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14).
What are the key properties of decanedioic acid?
decanedioic acid has a molecular weight of 202.25 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid is sourced from PubChem (CID 5192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).