decanoic acid;hexanedioic acid

C16H30O6 — CID 87189912

IUPACdecanoic acid;hexanedioic acid
SMILESCCCCCCCCCC(=O)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/C10H20O2.C6H10O4/c1-2-3-4-5-6-7-8-9-10(11)12;7-5(8)3-1-2-4-6(9)10/h2-9H2,1H3,(H,11,12);1-4H2,(H,7,8)(H,9,10)
InChIKeyQLASVTRFYNMTEX-UHFFFAOYSA-N
MW318.41 g/mol
LogP3.93
Rot. Bonds13

About decanoic acid;hexanedioic acid

decanoic acid;hexanedioic acid (PubChem CID 87189912) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is decanoic acid;hexanedioic acid.

Molecular Properties

Compound Namedecanoic acid;hexanedioic acid
PubChem CID87189912
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Namedecanoic acid;hexanedioic acid
SMILESCCCCCCCCCC(=O)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/C10H20O2.C6H10O4/c1-2-3-4-5-6-7-8-9-10(11)12;7-5(8)3-1-2-4-6(9)10/h2-9H2,1H3,(H,11,12);1-4H2,(H,7,8)(H,9,10)
InChIKeyQLASVTRFYNMTEX-UHFFFAOYSA-N
XLogP3.93
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 53.93
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

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
dodecanoic acid
CID 158187269
CID 131882435
CID 131882435

Frequently Asked Questions

What is the IUPAC name of decanoic acid;hexanedioic acid?
The IUPAC name of decanoic acid;hexanedioic acid (CID 87189912) is decanoic acid;hexanedioic acid.
What is the SMILES notation for decanoic acid;hexanedioic acid?
The canonical SMILES for decanoic acid;hexanedioic acid is CCCCCCCCCC(=O)O.O=C(O)CCCCC(=O)O.
What is the InChIKey of decanoic acid;hexanedioic acid?
The InChIKey is QLASVTRFYNMTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C6H10O4/c1-2-3-4-5-6-7-8-9-10(11)12;7-5(8)3-1-2-4-6(9)10/h2-9H2,1H3,(H,11,12);1-4H2,(H,7,8)(H,9,10).
What are the key properties of decanoic acid;hexanedioic acid?
decanoic acid;hexanedioic acid has a molecular weight of 318.41 g/mol, XLogP of 3.93, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;hexanedioic acid is sourced from PubChem (CID 87189912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).