(2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol

C14H25NO2 — CID 87478671

IUPAC(2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol
SMILESO/N=C(\C1CCCCC1)C(O)C1CCCCC1
InChIInChI=1S/C14H25NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h11-12,14,16-17H,1-10H2/b15-13+
InChIKeyURXXNBIHOGJVTQ-FYWRMAATSA-N
MW239.36 g/mol
LogP3.34
Rot. Bonds3

About (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol

(2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol (PubChem CID 87478671) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol.

Molecular Properties

Compound Name(2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol
PubChem CID87478671
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol
SMILESO/N=C(\C1CCCCC1)C(O)C1CCCCC1
InChIInChI=1S/C14H25NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h11-12,14,16-17H,1-10H2/b15-13+
InChIKeyURXXNBIHOGJVTQ-FYWRMAATSA-N
XLogP3.34
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol?
The IUPAC name of (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol (CID 87478671) is (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol.
What is the SMILES notation for (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol?
The canonical SMILES for (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol is O/N=C(\C1CCCCC1)C(O)C1CCCCC1.
What is the InChIKey of (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol?
The InChIKey is URXXNBIHOGJVTQ-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25NO2/c16-14(12-9-5-2-6-10-12)13(15-17)11-7-3-1-4-8-11/h11-12,14,16-17H,1-10H2/b15-13+.
What are the key properties of (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol?
(2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol has a molecular weight of 239.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,2-dicyclohexyl-2-hydroxyiminoethanol is sourced from PubChem (CID 87478671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).