2-cyclohexyloxetane

C9H16O — CID 12709676

IUPAC2-cyclohexyloxetane
SMILESC1CCC(C2CCO2)CC1
InChIInChI=1S/C9H16O/c1-2-4-8(5-3-1)9-6-7-10-9/h8-9H,1-7H2
InChIKeyKREDAVDITUSJEV-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.36
Rot. Bonds1

About 2-cyclohexyloxetane

2-cyclohexyloxetane (PubChem CID 12709676) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-cyclohexyloxetane.

Molecular Properties

Compound Name2-cyclohexyloxetane
PubChem CID12709676
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-cyclohexyloxetane
SMILESC1CCC(C2CCO2)CC1
InChIInChI=1S/C9H16O/c1-2-4-8(5-3-1)9-6-7-10-9/h8-9H,1-7H2
InChIKeyKREDAVDITUSJEV-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxetane?
The IUPAC name of 2-cyclohexyloxetane (CID 12709676) is 2-cyclohexyloxetane.
What is the SMILES notation for 2-cyclohexyloxetane?
The canonical SMILES for 2-cyclohexyloxetane is C1CCC(C2CCO2)CC1.
What is the InChIKey of 2-cyclohexyloxetane?
The InChIKey is KREDAVDITUSJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-4-8(5-3-1)9-6-7-10-9/h8-9H,1-7H2.
What are the key properties of 2-cyclohexyloxetane?
2-cyclohexyloxetane has a molecular weight of 140.23 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxetane is sourced from PubChem (CID 12709676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).