decanoic acid;heptanoic acid;nonanoic acid;octanoic acid

C34H68O8 — CID 163854999

IUPACdecanoic acid;heptanoic acid;nonanoic acid;octanoic acid
SMILESCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.C9H18O2.C8H16O2.C7H14O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8-9(10)11;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9/h2-9H2,1H3,(H,11,12);2-8H2,1H3,(H,10,11);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9)
InChIKeyOXNXKRVAFRLAOP-UHFFFAOYSA-N
MW604.91 g/mol
LogP10.51
Rot. Bonds26

About decanoic acid;heptanoic acid;nonanoic acid;octanoic acid

decanoic acid;heptanoic acid;nonanoic acid;octanoic acid (PubChem CID 163854999) has the molecular formula C34H68O8 and a molecular weight of 604.91 g/mol. Its IUPAC name is decanoic acid;heptanoic acid;nonanoic acid;octanoic acid.

Molecular Properties

Compound Namedecanoic acid;heptanoic acid;nonanoic acid;octanoic acid
PubChem CID163854999
Molecular FormulaC34H68O8
Molecular Weight604.91 g/mol
Exact Mass604.49
IUPAC Namedecanoic acid;heptanoic acid;nonanoic acid;octanoic acid
SMILESCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.C9H18O2.C8H16O2.C7H14O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8-9(10)11;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9/h2-9H2,1H3,(H,11,12);2-8H2,1H3,(H,10,11);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9)
InChIKeyOXNXKRVAFRLAOP-UHFFFAOYSA-N
XLogP10.51
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.91
LogP ≤ 510.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
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

Frequently Asked Questions

What is the IUPAC name of decanoic acid;heptanoic acid;nonanoic acid;octanoic acid?
The IUPAC name of decanoic acid;heptanoic acid;nonanoic acid;octanoic acid (CID 163854999) is decanoic acid;heptanoic acid;nonanoic acid;octanoic acid.
What is the SMILES notation for decanoic acid;heptanoic acid;nonanoic acid;octanoic acid?
The canonical SMILES for decanoic acid;heptanoic acid;nonanoic acid;octanoic acid is CCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCCCCCC(=O)O.CCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid;heptanoic acid;nonanoic acid;octanoic acid?
The InChIKey is OXNXKRVAFRLAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C9H18O2.C8H16O2.C7H14O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8-9(10)11;1-2-3-4-5-6-7-8(9)10;1-2-3-4-5-6-7(8)9/h2-9H2,1H3,(H,11,12);2-8H2,1H3,(H,10,11);2-7H2,1H3,(H,9,10);2-6H2,1H3,(H,8,9).
What are the key properties of decanoic acid;heptanoic acid;nonanoic acid;octanoic acid?
decanoic acid;heptanoic acid;nonanoic acid;octanoic acid has a molecular weight of 604.91 g/mol, XLogP of 10.51, 26 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;heptanoic acid;nonanoic acid;octanoic acid is sourced from PubChem (CID 163854999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).