6-(oxiran-2-yl)cyclohex-3-en-1-ol

C8H12O2 — CID 89276633

IUPAC6-(oxiran-2-yl)cyclohex-3-en-1-ol
SMILESOC1CC=CCC1C1CO1
InChIInChI=1S/C8H12O2/c9-7-4-2-1-3-6(7)8-5-10-8/h1-2,6-9H,3-5H2
InChIKeyZHVMJDORBFXISH-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.71
Rot. Bonds1

About 6-(oxiran-2-yl)cyclohex-3-en-1-ol

6-(oxiran-2-yl)cyclohex-3-en-1-ol (PubChem CID 89276633) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-(oxiran-2-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name6-(oxiran-2-yl)cyclohex-3-en-1-ol
PubChem CID89276633
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-(oxiran-2-yl)cyclohex-3-en-1-ol
SMILESOC1CC=CCC1C1CO1
InChIInChI=1S/C8H12O2/c9-7-4-2-1-3-6(7)8-5-10-8/h1-2,6-9H,3-5H2
InChIKeyZHVMJDORBFXISH-UHFFFAOYSA-N
XLogP0.71
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.71
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 6-(oxiran-2-yl)cyclohex-3-en-1-ol?
The IUPAC name of 6-(oxiran-2-yl)cyclohex-3-en-1-ol (CID 89276633) is 6-(oxiran-2-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 6-(oxiran-2-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 6-(oxiran-2-yl)cyclohex-3-en-1-ol is OC1CC=CCC1C1CO1.
What is the InChIKey of 6-(oxiran-2-yl)cyclohex-3-en-1-ol?
The InChIKey is ZHVMJDORBFXISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-4-2-1-3-6(7)8-5-10-8/h1-2,6-9H,3-5H2.
What are the key properties of 6-(oxiran-2-yl)cyclohex-3-en-1-ol?
6-(oxiran-2-yl)cyclohex-3-en-1-ol has a molecular weight of 140.18 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxiran-2-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 89276633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).