cyclohexanol;octan-1-ol

C14H30O2 — CID 67205561

IUPACcyclohexanol;octan-1-ol
SMILESCCCCCCCCO.OC1CCCCC1
InChIInChI=1S/C8H18O.C6H12O/c1-2-3-4-5-6-7-8-9;7-6-4-2-1-3-5-6/h9H,2-8H2,1H3;6-7H,1-5H2
InChIKeyMHGRGFYSJTUSKW-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.65
Rot. Bonds6

About cyclohexanol;octan-1-ol

cyclohexanol;octan-1-ol (PubChem CID 67205561) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is cyclohexanol;octan-1-ol.

Molecular Properties

Compound Namecyclohexanol;octan-1-ol
PubChem CID67205561
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Namecyclohexanol;octan-1-ol
SMILESCCCCCCCCO.OC1CCCCC1
InChIInChI=1S/C8H18O.C6H12O/c1-2-3-4-5-6-7-8-9;7-6-4-2-1-3-5-6/h9H,2-8H2,1H3;6-7H,1-5H2
InChIKeyMHGRGFYSJTUSKW-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butan-1-ol;cyclopentanol
CID 67930913
cyclopentane;heptan-1-ol
CID 67743397
cyclohexane;bis(pentan-1-ol)
CID 159060972
cycloheptane;bis(pentan-1-ol)
CID 140562210
cyclohexanol;dodecoxymethanol
CID 157186825
cyclohexane;octan-1-ol;octoxycyclohexane
CID 157453756
tris(cyclododecanol);hexadecanoic acid
CID 175985554
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
decane;decan-1-ol
CID 22418527
dohexacontan-1-ol
CID 22501426

Frequently Asked Questions

What is the IUPAC name of cyclohexanol;octan-1-ol?
The IUPAC name of cyclohexanol;octan-1-ol (CID 67205561) is cyclohexanol;octan-1-ol.
What is the SMILES notation for cyclohexanol;octan-1-ol?
The canonical SMILES for cyclohexanol;octan-1-ol is CCCCCCCCO.OC1CCCCC1.
What is the InChIKey of cyclohexanol;octan-1-ol?
The InChIKey is MHGRGFYSJTUSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C6H12O/c1-2-3-4-5-6-7-8-9;7-6-4-2-1-3-5-6/h9H,2-8H2,1H3;6-7H,1-5H2.
What are the key properties of cyclohexanol;octan-1-ol?
cyclohexanol;octan-1-ol has a molecular weight of 230.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanol;octan-1-ol is sourced from PubChem (CID 67205561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).