decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid

C60H120O10 — CID 159524024

IUPACdecanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
SMILESCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O2.C14H28O2.C12H24O2.C10H20O2.C8H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10/h2-15H2,1H3,(H,17,18);2-13H2,1H3,(H,15,16);2-11H2,1H3,(H,13,14);2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10)
InChIKeyMCDXOOQPWDAZOU-UHFFFAOYSA-N
MW1001.61 g/mol
LogP19.96
Rot. Bonds50

About decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid

decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid (PubChem CID 159524024) has the molecular formula C60H120O10 and a molecular weight of 1001.61 g/mol. Its IUPAC name is decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid.

Molecular Properties

Compound Namedecanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
PubChem CID159524024
Molecular FormulaC60H120O10
Molecular Weight1001.61 g/mol
Exact Mass1000.89
IUPAC Namedecanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
SMILESCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O2.C14H28O2.C12H24O2.C10H20O2.C8H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10/h2-15H2,1H3,(H,17,18);2-13H2,1H3,(H,15,16);2-11H2,1H3,(H,13,14);2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10)
InChIKeyMCDXOOQPWDAZOU-UHFFFAOYSA-N
XLogP19.96
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds50
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.61
LogP ≤ 519.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;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
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid?
The IUPAC name of decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid (CID 159524024) is decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid.
What is the SMILES notation for decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid?
The canonical SMILES for decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid is CCCCCCCC(=O)O.CCCCCCCCCC(=O)O.CCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid?
The InChIKey is MCDXOOQPWDAZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.C14H28O2.C12H24O2.C10H20O2.C8H16O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10/h2-15H2,1H3,(H,17,18);2-13H2,1H3,(H,15,16);2-11H2,1H3,(H,13,14);2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10).
What are the key properties of decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid?
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid has a molecular weight of 1001.61 g/mol, XLogP of 19.96, 50 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid is sourced from PubChem (CID 159524024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).