cyclohexane;bis(pentan-1-ol)

C16H36O2 — CID 159060972

IUPACcyclohexane;bis(pentan-1-ol)
SMILESC1CCCCC1.CCCCCO.CCCCCO
InChIInChI=1S/C6H12.2C5H12O/c1-2-4-6-5-3-1;2*1-2-3-4-5-6/h1-6H2;2*6H,2-5H2,1H3
InChIKeyJYLSWYSYDXNOGO-UHFFFAOYSA-N
MW260.46 g/mol
LogP4.68
Rot. Bonds6

About cyclohexane;bis(pentan-1-ol)

cyclohexane;bis(pentan-1-ol) (PubChem CID 159060972) has the molecular formula C16H36O2 and a molecular weight of 260.46 g/mol. Its IUPAC name is cyclohexane;bis(pentan-1-ol).

Molecular Properties

Compound Namecyclohexane;bis(pentan-1-ol)
PubChem CID159060972
Molecular FormulaC16H36O2
Molecular Weight260.46 g/mol
Exact Mass260.27
IUPAC Namecyclohexane;bis(pentan-1-ol)
SMILESC1CCCCC1.CCCCCO.CCCCCO
InChIInChI=1S/C6H12.2C5H12O/c1-2-4-6-5-3-1;2*1-2-3-4-5-6/h1-6H2;2*6H,2-5H2,1H3
InChIKeyJYLSWYSYDXNOGO-UHFFFAOYSA-N
XLogP4.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.46
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexane;bis(pentan-1-ol) 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

cycloheptane;bis(pentan-1-ol)
CID 140562210
cyclopentane;heptan-1-ol
CID 67743397
bis(butan-1-ol);cyclobutane
CID 140562216
pentan-1-ol;propane
CID 87763104
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
nickel;pentan-1-ol
CID 157287705

Frequently Asked Questions

What is the IUPAC name of cyclohexane;bis(pentan-1-ol)?
The IUPAC name of cyclohexane;bis(pentan-1-ol) (CID 159060972) is cyclohexane;bis(pentan-1-ol).
What is the SMILES notation for cyclohexane;bis(pentan-1-ol)?
The canonical SMILES for cyclohexane;bis(pentan-1-ol) is C1CCCCC1.CCCCCO.CCCCCO.
What is the InChIKey of cyclohexane;bis(pentan-1-ol)?
The InChIKey is JYLSWYSYDXNOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.2C5H12O/c1-2-4-6-5-3-1;2*1-2-3-4-5-6/h1-6H2;2*6H,2-5H2,1H3.
What are the key properties of cyclohexane;bis(pentan-1-ol)?
cyclohexane;bis(pentan-1-ol) has a molecular weight of 260.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;bis(pentan-1-ol) is sourced from PubChem (CID 159060972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).