nonanedioic acid

C9H16O4 — CID 2266

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IUPACnonanedioic acid
SMILESO=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChIKeyBDJRBEYXGGNYIS-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.89
Rot. Bonds8

About nonanedioic acid

nonanedioic acid (PubChem CID 2266) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is nonanedioic acid.

Molecular Properties

Compound Namenonanedioic acid
PubChem CID2266
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namenonanedioic acid
SMILESO=C(O)CCCCCCCC(=O)O
InChIInChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChIKeyBDJRBEYXGGNYIS-UHFFFAOYSA-N
XLogP1.89
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.89
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
Stearic Acid
CID 5281
Heptanoic Acid
CID 8094
Myristic Acid
CID 11005
Sebacic Acid
CID 5192
Undecanoic Acid
CID 8180
Docosanoic Acid
CID 8215
Dodecanedioic Acid
CID 12736

Frequently Asked Questions

What is the IUPAC name of nonanedioic acid?
The IUPAC name of nonanedioic acid (CID 2266) is nonanedioic acid.
What is the SMILES notation for nonanedioic acid?
The canonical SMILES for nonanedioic acid is O=C(O)CCCCCCCC(=O)O.
What is the InChIKey of nonanedioic acid?
The InChIKey is BDJRBEYXGGNYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13).
What are the key properties of nonanedioic acid?
nonanedioic acid has a molecular weight of 188.22 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonanedioic acid is sourced from PubChem (CID 2266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).