1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol

C9H14O2 — CID 87661811

IUPAC1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol
SMILESOC1(CC2CO2)C=CCCC1
InChIInChI=1S/C9H14O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h2,4,8,10H,1,3,5-7H2
InChIKeyFGCIOVYTQFAWMD-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.25
Rot. Bonds2

About 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol

1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol (PubChem CID 87661811) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol
PubChem CID87661811
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol
SMILESOC1(CC2CO2)C=CCCC1
InChIInChI=1S/C9H14O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h2,4,8,10H,1,3,5-7H2
InChIKeyFGCIOVYTQFAWMD-UHFFFAOYSA-N
XLogP1.25
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.25
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 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol (CID 87661811) is 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol is OC1(CC2CO2)C=CCCC1.
What is the InChIKey of 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol?
The InChIKey is FGCIOVYTQFAWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c10-9(6-8-7-11-8)4-2-1-3-5-9/h2,4,8,10H,1,3,5-7H2.
What are the key properties of 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol?
1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol has a molecular weight of 154.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxiran-2-ylmethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 87661811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).