acetic acid;decanoic acid

C14H28O6 — CID 159015360

IUPACacetic acid;decanoic acid
SMILESCC(=O)O.CC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.2C2H4O2/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-2(3)4/h2-9H2,1H3,(H,11,12);2*1H3,(H,3,4)
InChIKeyJTACJVOALGRMKR-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.39
Rot. Bonds8

About acetic acid;decanoic acid

acetic acid;decanoic acid (PubChem CID 159015360) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is acetic acid;decanoic acid.

Molecular Properties

Compound Nameacetic acid;decanoic acid
PubChem CID159015360
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Nameacetic acid;decanoic acid
SMILESCC(=O)O.CC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.2C2H4O2/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-2(3)4/h2-9H2,1H3,(H,11,12);2*1H3,(H,3,4)
InChIKeyJTACJVOALGRMKR-UHFFFAOYSA-N
XLogP3.39
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.39
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

hexadecanoic acid;propan-2-one
CID 87722461
acetic acid;hexanoic acid;silver
CID 22889705
decanoic acid;propan-2-one
CID 158596023
(1,3,5,7,9-13C5)hexadecanoic acid
CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
pentakis(decanoic acid);tetradecanoic acid
CID 173200297
(1,12-13C2)dodecanoic acid
CID 71308916
henicosane;tetracontanoic acid
CID 175935348
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096

Frequently Asked Questions

What is the IUPAC name of acetic acid;decanoic acid?
The IUPAC name of acetic acid;decanoic acid (CID 159015360) is acetic acid;decanoic acid.
What is the SMILES notation for acetic acid;decanoic acid?
The canonical SMILES for acetic acid;decanoic acid is CC(=O)O.CC(=O)O.CCCCCCCCCC(=O)O.
What is the InChIKey of acetic acid;decanoic acid?
The InChIKey is JTACJVOALGRMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.2C2H4O2/c1-2-3-4-5-6-7-8-9-10(11)12;2*1-2(3)4/h2-9H2,1H3,(H,11,12);2*1H3,(H,3,4).
What are the key properties of acetic acid;decanoic acid?
acetic acid;decanoic acid has a molecular weight of 292.37 g/mol, XLogP of 3.39, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;decanoic acid is sourced from PubChem (CID 159015360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).