hexanedioic acid;hexane-2,5-diol

C12H24O6 — CID 160536258

IUPAChexanedioic acid;hexane-2,5-diol
SMILESCC(O)CCC(C)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.C6H14O2/c7-5(8)3-1-2-4-6(9)10;1-5(7)3-4-6(2)8/h1-4H2,(H,7,8)(H,9,10);5-8H,3-4H2,1-2H3
InChIKeyQWEWAQHINWZNPT-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.24
Rot. Bonds8

About hexanedioic acid;hexane-2,5-diol

hexanedioic acid;hexane-2,5-diol (PubChem CID 160536258) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is hexanedioic acid;hexane-2,5-diol.

Molecular Properties

Compound Namehexanedioic acid;hexane-2,5-diol
PubChem CID160536258
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Namehexanedioic acid;hexane-2,5-diol
SMILESCC(O)CCC(C)O.O=C(O)CCCCC(=O)O
InChIInChI=1S/C6H10O4.C6H14O2/c7-5(8)3-1-2-4-6(9)10;1-5(7)3-4-6(2)8/h1-4H2,(H,7,8)(H,9,10);5-8H,3-4H2,1-2H3
InChIKeyQWEWAQHINWZNPT-UHFFFAOYSA-N
XLogP1.24
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hexanedioic acid;hexane-2,5-diol 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

20-hydroxyhenicosanoic acid
CID 19591814
19-hydroxyicosanoic acid
CID 14535566
ethane-1,1-diol;hexanedioic acid
CID 160553867
bis(hexanedioic acid);hexane-1,5-diol
CID 159262275
2-(3-hydroxybutyl)hexanedioic acid
CID 134209851
11-hydroxydodec-6-enoic acid
CID 123616769
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423
butane-1,3-diol;bis(octadecanoic acid)
CID 161005414
hexanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 87300417
(8S,12R)-8-acetyl-12-hydroxytridecanoic acid
CID 129396183
acetic acid;hexane-2,5-diol
CID 71365730
6-methylheptanoic acid;vanadium
CID 174623955

Frequently Asked Questions

What is the IUPAC name of hexanedioic acid;hexane-2,5-diol?
The IUPAC name of hexanedioic acid;hexane-2,5-diol (CID 160536258) is hexanedioic acid;hexane-2,5-diol.
What is the SMILES notation for hexanedioic acid;hexane-2,5-diol?
The canonical SMILES for hexanedioic acid;hexane-2,5-diol is CC(O)CCC(C)O.O=C(O)CCCCC(=O)O.
What is the InChIKey of hexanedioic acid;hexane-2,5-diol?
The InChIKey is QWEWAQHINWZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C6H14O2/c7-5(8)3-1-2-4-6(9)10;1-5(7)3-4-6(2)8/h1-4H2,(H,7,8)(H,9,10);5-8H,3-4H2,1-2H3.
What are the key properties of hexanedioic acid;hexane-2,5-diol?
hexanedioic acid;hexane-2,5-diol has a molecular weight of 264.32 g/mol, XLogP of 1.24, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedioic acid;hexane-2,5-diol is sourced from PubChem (CID 160536258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).