1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol

C12H24O4 — CID 123208346

IUPAC1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol
SMILESOC(O)CCCCCC1(O)CCC(O)CC1
InChIInChI=1S/C12H24O4/c13-10-5-8-12(16,9-6-10)7-3-1-2-4-11(14)15/h10-11,13-16H,1-9H2
InChIKeyQAEYYKZIJPFJKZ-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.91
Rot. Bonds6

About 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol

1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol (PubChem CID 123208346) has the molecular formula C12H24O4 and a molecular weight of 232.32 g/mol. Its IUPAC name is 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol.

Molecular Properties

Compound Name1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol
PubChem CID123208346
Molecular FormulaC12H24O4
Molecular Weight232.32 g/mol
Exact Mass232.17
IUPAC Name1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol
SMILESOC(O)CCCCCC1(O)CCC(O)CC1
InChIInChI=1S/C12H24O4/c13-10-5-8-12(16,9-6-10)7-3-1-2-4-11(14)15/h10-11,13-16H,1-9H2
InChIKeyQAEYYKZIJPFJKZ-UHFFFAOYSA-N
XLogP0.91
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol?
The IUPAC name of 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol (CID 123208346) is 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol.
What is the SMILES notation for 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol?
The canonical SMILES for 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol is OC(O)CCCCCC1(O)CCC(O)CC1.
What is the InChIKey of 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol?
The InChIKey is QAEYYKZIJPFJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c13-10-5-8-12(16,9-6-10)7-3-1-2-4-11(14)15/h10-11,13-16H,1-9H2.
What are the key properties of 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol?
1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol has a molecular weight of 232.32 g/mol, XLogP of 0.91, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dihydroxyhexyl)cyclohexane-1,4-diol is sourced from PubChem (CID 123208346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).