decanedioic acid;phthalic acid

C18H24O8 — CID 67564124

IUPACdecanedioic acid;phthalic acid
SMILESO=C(O)CCCCCCCCC(=O)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C10H18O4.C8H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-8H2,(H,11,12)(H,13,14);1-4H,(H,9,10)(H,11,12)
InChIKeyODRRERPLRXEUSY-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.36
Rot. Bonds11

About decanedioic acid;phthalic acid

decanedioic acid;phthalic acid (PubChem CID 67564124) has the molecular formula C18H24O8 and a molecular weight of 368.38 g/mol. Its IUPAC name is decanedioic acid;phthalic acid.

Molecular Properties

Compound Namedecanedioic acid;phthalic acid
PubChem CID67564124
Molecular FormulaC18H24O8
Molecular Weight368.38 g/mol
Exact Mass368.15
IUPAC Namedecanedioic acid;phthalic acid
SMILESO=C(O)CCCCCCCCC(=O)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C10H18O4.C8H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-8H2,(H,11,12)(H,13,14);1-4H,(H,9,10)(H,11,12)
InChIKeyODRRERPLRXEUSY-UHFFFAOYSA-N
XLogP3.36
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze decanedioic acid;phthalic 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

hexanedioic acid;phthalic acid;prop-1-ene
CID 70426340
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577
sodium;butanedioic acid;hydride;phthalic acid
CID 174701100
bis(6-methylheptanoic acid);phthalic acid
CID 175128807
2-(7-carboxy-2-oxoheptanehydrazonoyl)benzoic acid
CID 140579309
2-[2-(2-carboxyphenoxy)propan-2-yloxy]benzoic acid;decanedioic acid
CID 161061967
methanediol;phthalic acid
CID 70525231
decane;phthalic acid
CID 158763790
butanedioic acid;2-hydroxybenzoic acid
CID 68741404
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;phthalic acid?
The IUPAC name of decanedioic acid;phthalic acid (CID 67564124) is decanedioic acid;phthalic acid.
What is the SMILES notation for decanedioic acid;phthalic acid?
The canonical SMILES for decanedioic acid;phthalic acid is O=C(O)CCCCCCCCC(=O)O.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of decanedioic acid;phthalic acid?
The InChIKey is ODRRERPLRXEUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.C8H6O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;9-7(10)5-3-1-2-4-6(5)8(11)12/h1-8H2,(H,11,12)(H,13,14);1-4H,(H,9,10)(H,11,12).
What are the key properties of decanedioic acid;phthalic acid?
decanedioic acid;phthalic acid has a molecular weight of 368.38 g/mol, XLogP of 3.36, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;phthalic acid is sourced from PubChem (CID 67564124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).