cyclohexane;ethenol

C8H16O — CID 168894099

IUPACcyclohexane;ethenol
SMILESC1CCCCC1.C=CO
InChIInChI=1S/C6H12.C2H4O/c1-2-4-6-5-3-1;1-2-3/h1-6H2;2-3H,1H2
InChIKeyOHTYCOWSWABQHH-UHFFFAOYSA-N
MW128.22 g/mol
LogP3.03
Rot. Bonds

About cyclohexane;ethenol

cyclohexane;ethenol (PubChem CID 168894099) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is cyclohexane;ethenol.

Molecular Properties

Compound Namecyclohexane;ethenol
PubChem CID168894099
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Namecyclohexane;ethenol
SMILESC1CCCCC1.C=CO
InChIInChI=1S/C6H12.C2H4O/c1-2-4-6-5-3-1;1-2-3/h1-6H2;2-3H,1H2
InChIKeyOHTYCOWSWABQHH-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethenol?
The IUPAC name of cyclohexane;ethenol (CID 168894099) is cyclohexane;ethenol.
What is the SMILES notation for cyclohexane;ethenol?
The canonical SMILES for cyclohexane;ethenol is C1CCCCC1.C=CO.
What is the InChIKey of cyclohexane;ethenol?
The InChIKey is OHTYCOWSWABQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C2H4O/c1-2-4-6-5-3-1;1-2-3/h1-6H2;2-3H,1H2.
What are the key properties of cyclohexane;ethenol?
cyclohexane;ethenol has a molecular weight of 128.22 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethenol is sourced from PubChem (CID 168894099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).