2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol

C10H16O2 — CID 134954405

IUPAC2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol
SMILESOCCC1OC1C1=CCCCC1
InChIInChI=1S/C10H16O2/c11-7-6-9-10(12-9)8-4-2-1-3-5-8/h4,9-11H,1-3,5-7H2
InChIKeyBTXVVYNJWSHUDX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.64
Rot. Bonds3

About 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol

2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol (PubChem CID 134954405) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol
PubChem CID134954405
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol
SMILESOCCC1OC1C1=CCCCC1
InChIInChI=1S/C10H16O2/c11-7-6-9-10(12-9)8-4-2-1-3-5-8/h4,9-11H,1-3,5-7H2
InChIKeyBTXVVYNJWSHUDX-UHFFFAOYSA-N
XLogP1.64
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol?
The IUPAC name of 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol (CID 134954405) is 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol.
What is the SMILES notation for 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol?
The canonical SMILES for 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol is OCCC1OC1C1=CCCCC1.
What is the InChIKey of 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol?
The InChIKey is BTXVVYNJWSHUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c11-7-6-9-10(12-9)8-4-2-1-3-5-8/h4,9-11H,1-3,5-7H2.
What are the key properties of 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol?
2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexen-1-yl)oxiran-2-yl]ethanol is sourced from PubChem (CID 134954405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).