cyclohexanone;pentan-1-ol

C11H22O2 — CID 70403425

IUPACcyclohexanone;pentan-1-ol
SMILESCCCCCO.O=C1CCCCC1
InChIInChI=1S/C6H10O.C5H12O/c7-6-4-2-1-3-5-6;1-2-3-4-5-6/h1-5H2;6H,2-5H2,1H3
InChIKeyGUWPXMMNHLQCRY-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.69
Rot. Bonds3

About cyclohexanone;pentan-1-ol

cyclohexanone;pentan-1-ol (PubChem CID 70403425) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is cyclohexanone;pentan-1-ol.

Molecular Properties

Compound Namecyclohexanone;pentan-1-ol
PubChem CID70403425
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namecyclohexanone;pentan-1-ol
SMILESCCCCCO.O=C1CCCCC1
InChIInChI=1S/C6H10O.C5H12O/c7-6-4-2-1-3-5-6;1-2-3-4-5-6/h1-5H2;6H,2-5H2,1H3
InChIKeyGUWPXMMNHLQCRY-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclopentanone;heptane
CID 20975482
cyclohexanone;ethanol
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cyclohexane;bis(pentan-1-ol)
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cycloheptane;bis(pentan-1-ol)
CID 140562210
cyclohexanone;bis(ethane-1,2-diol)
CID 174864524
cyclopentane;heptan-1-ol
CID 67743397
N-cyclohexylidenehydroxylamine;octan-1-ol
CID 174496993
CID 158543055
CID 158543055
bis(butan-1-ol);cyclobutane
CID 140562216
6-decylcyclododecan-1-one
CID 21490531
butan-2-one;cycloheptanone
CID 174930229
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596

Frequently Asked Questions

What is the IUPAC name of cyclohexanone;pentan-1-ol?
The IUPAC name of cyclohexanone;pentan-1-ol (CID 70403425) is cyclohexanone;pentan-1-ol.
What is the SMILES notation for cyclohexanone;pentan-1-ol?
The canonical SMILES for cyclohexanone;pentan-1-ol is CCCCCO.O=C1CCCCC1.
What is the InChIKey of cyclohexanone;pentan-1-ol?
The InChIKey is GUWPXMMNHLQCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C5H12O/c7-6-4-2-1-3-5-6;1-2-3-4-5-6/h1-5H2;6H,2-5H2,1H3.
What are the key properties of cyclohexanone;pentan-1-ol?
cyclohexanone;pentan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanone;pentan-1-ol is sourced from PubChem (CID 70403425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).