[(1S)-1-cyclohexylethyl] cyanate

C9H15NO — CID 58109695

IUPAC[(1S)-1-cyclohexylethyl] cyanate
SMILESC[C@H](OC#N)C1CCCCC1
InChIInChI=1S/C9H15NO/c1-8(11-7-10)9-5-3-2-4-6-9/h8-9H,2-6H2,1H3/t8-/m0/s1
InChIKeyOWWZYIXCHYZHLK-QMMMGPOBSA-N
MW153.22 g/mol
LogP2.45
Rot. Bonds2

About [(1S)-1-cyclohexylethyl] cyanate

[(1S)-1-cyclohexylethyl] cyanate (PubChem CID 58109695) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is [(1S)-1-cyclohexylethyl] cyanate.

Molecular Properties

Compound Name[(1S)-1-cyclohexylethyl] cyanate
PubChem CID58109695
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name[(1S)-1-cyclohexylethyl] cyanate
SMILESC[C@H](OC#N)C1CCCCC1
InChIInChI=1S/C9H15NO/c1-8(11-7-10)9-5-3-2-4-6-9/h8-9H,2-6H2,1H3/t8-/m0/s1
InChIKeyOWWZYIXCHYZHLK-QMMMGPOBSA-N
XLogP2.45
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-cyclohexylethyl] cyanate?
The IUPAC name of [(1S)-1-cyclohexylethyl] cyanate (CID 58109695) is [(1S)-1-cyclohexylethyl] cyanate.
What is the SMILES notation for [(1S)-1-cyclohexylethyl] cyanate?
The canonical SMILES for [(1S)-1-cyclohexylethyl] cyanate is C[C@H](OC#N)C1CCCCC1.
What is the InChIKey of [(1S)-1-cyclohexylethyl] cyanate?
The InChIKey is OWWZYIXCHYZHLK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(11-7-10)9-5-3-2-4-6-9/h8-9H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of [(1S)-1-cyclohexylethyl] cyanate?
[(1S)-1-cyclohexylethyl] cyanate has a molecular weight of 153.22 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-cyclohexylethyl] cyanate is sourced from PubChem (CID 58109695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).