decanoic acid

C10H20O2 — CID 2969

IUPACdecanoic acid
SMILESCCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKeyGHVNFZFCNZKVNT-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.21
Rot. Bonds8

About decanoic acid

decanoic acid (PubChem CID 2969) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is decanoic acid.

Molecular Properties

Compound Namedecanoic acid
PubChem CID2969
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namedecanoic acid
SMILESCCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKeyGHVNFZFCNZKVNT-UHFFFAOYSA-N
XLogP3.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Octanoic Acid
CID 379
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
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 decanoic acid?
The IUPAC name of decanoic acid (CID 2969) is decanoic acid.
What is the SMILES notation for decanoic acid?
The canonical SMILES for decanoic acid is CCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid?
The InChIKey is GHVNFZFCNZKVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12).
What are the key properties of decanoic acid?
decanoic acid has a molecular weight of 172.27 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid is sourced from PubChem (CID 2969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).