2-(4-methylcyclohexyl)oxetane

C10H18O — CID 59188362

IUPAC2-(4-methylcyclohexyl)oxetane
SMILESCC1CCC(C2CCO2)CC1
InChIInChI=1S/C10H18O/c1-8-2-4-9(5-3-8)10-6-7-11-10/h8-10H,2-7H2,1H3
InChIKeyJOPJBBITASBCCA-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds1

About 2-(4-methylcyclohexyl)oxetane

2-(4-methylcyclohexyl)oxetane (PubChem CID 59188362) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)oxetane.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)oxetane
PubChem CID59188362
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-(4-methylcyclohexyl)oxetane
SMILESCC1CCC(C2CCO2)CC1
InChIInChI=1S/C10H18O/c1-8-2-4-9(5-3-8)10-6-7-11-10/h8-10H,2-7H2,1H3
InChIKeyJOPJBBITASBCCA-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)oxetane?
The IUPAC name of 2-(4-methylcyclohexyl)oxetane (CID 59188362) is 2-(4-methylcyclohexyl)oxetane.
What is the SMILES notation for 2-(4-methylcyclohexyl)oxetane?
The canonical SMILES for 2-(4-methylcyclohexyl)oxetane is CC1CCC(C2CCO2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)oxetane?
The InChIKey is JOPJBBITASBCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8-2-4-9(5-3-8)10-6-7-11-10/h8-10H,2-7H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)oxetane?
2-(4-methylcyclohexyl)oxetane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)oxetane is sourced from PubChem (CID 59188362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).