2-[(1-methylcyclohexyl)oxymethyl]oxirane

C10H18O2 — CID 19817910

IUPAC2-[(1-methylcyclohexyl)oxymethyl]oxirane
SMILESCC1(OCC2CO2)CCCCC1
InChIInChI=1S/C10H18O2/c1-10(5-3-2-4-6-10)12-8-9-7-11-9/h9H,2-8H2,1H3
InChIKeyXFSOIUYJVSLCIN-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.12
Rot. Bonds3

About 2-[(1-methylcyclohexyl)oxymethyl]oxirane

2-[(1-methylcyclohexyl)oxymethyl]oxirane (PubChem CID 19817910) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-[(1-methylcyclohexyl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(1-methylcyclohexyl)oxymethyl]oxirane
PubChem CID19817910
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-[(1-methylcyclohexyl)oxymethyl]oxirane
SMILESCC1(OCC2CO2)CCCCC1
InChIInChI=1S/C10H18O2/c1-10(5-3-2-4-6-10)12-8-9-7-11-9/h9H,2-8H2,1H3
InChIKeyXFSOIUYJVSLCIN-UHFFFAOYSA-N
XLogP2.12
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(1-methylcyclohexyl)oxymethyl]oxirane?
The IUPAC name of 2-[(1-methylcyclohexyl)oxymethyl]oxirane (CID 19817910) is 2-[(1-methylcyclohexyl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(1-methylcyclohexyl)oxymethyl]oxirane?
The canonical SMILES for 2-[(1-methylcyclohexyl)oxymethyl]oxirane is CC1(OCC2CO2)CCCCC1.
What is the InChIKey of 2-[(1-methylcyclohexyl)oxymethyl]oxirane?
The InChIKey is XFSOIUYJVSLCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(5-3-2-4-6-10)12-8-9-7-11-9/h9H,2-8H2,1H3.
What are the key properties of 2-[(1-methylcyclohexyl)oxymethyl]oxirane?
2-[(1-methylcyclohexyl)oxymethyl]oxirane has a molecular weight of 170.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclohexyl)oxymethyl]oxirane is sourced from PubChem (CID 19817910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).