2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol

C9H16O3 — CID 23118753

IUPAC2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol
SMILESCOC1CC(C2CO2)CCC1O
InChIInChI=1S/C9H16O3/c1-11-8-4-6(9-5-12-9)2-3-7(8)10/h6-10H,2-5H2,1H3
InChIKeyMMPQUTSJWIKCOI-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.56
Rot. Bonds2

About 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol

2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol (PubChem CID 23118753) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol
PubChem CID23118753
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol
SMILESCOC1CC(C2CO2)CCC1O
InChIInChI=1S/C9H16O3/c1-11-8-4-6(9-5-12-9)2-3-7(8)10/h6-10H,2-5H2,1H3
InChIKeyMMPQUTSJWIKCOI-UHFFFAOYSA-N
XLogP0.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol (CID 23118753) is 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol is COC1CC(C2CO2)CCC1O.
What is the InChIKey of 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol?
The InChIKey is MMPQUTSJWIKCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-11-8-4-6(9-5-12-9)2-3-7(8)10/h6-10H,2-5H2,1H3.
What are the key properties of 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol?
2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol has a molecular weight of 172.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(oxiran-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 23118753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).