2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane

C13H20Cl2O — CID 163368222

IUPAC2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane
SMILESClC1CCCCC1CC1(C2(Cl)CC2)CCO1
InChIInChI=1S/C13H20Cl2O/c14-11-4-2-1-3-10(11)9-13(7-8-16-13)12(15)5-6-12/h10-11H,1-9H2
InChIKeyZEHRWEQTQWJHEH-UHFFFAOYSA-N
MW263.21 g/mol
LogP4.10
Rot. Bonds3

About 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane

2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane (PubChem CID 163368222) has the molecular formula C13H20Cl2O and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane.

Molecular Properties

Compound Name2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane
PubChem CID163368222
Molecular FormulaC13H20Cl2O
Molecular Weight263.21 g/mol
Exact Mass262.09
IUPAC Name2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane
SMILESClC1CCCCC1CC1(C2(Cl)CC2)CCO1
InChIInChI=1S/C13H20Cl2O/c14-11-4-2-1-3-10(11)9-13(7-8-16-13)12(15)5-6-12/h10-11H,1-9H2
InChIKeyZEHRWEQTQWJHEH-UHFFFAOYSA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,2S)-2-chlorocyclohexyl]ethanamine
CID 97304641
2-(2-chlorocyclohexyl)ethanamine
CID 53423115
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CID 130596602
1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
CID 65024568
2-[(2-chlorocyclohexyl)methyl]-5-methyloxolane
CID 103131719
1-chloro-2-(3-methylbutyl)cycloheptane
CID 63459310
2-[3-(2-chlorocyclopentyl)propyl]oxolane
CID 65166471
1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461674
(2S,3R)-1,1,2,3-tetrachlorocyclohexane
CID 91753297
1-chloro-2-(2-ethylcyclohexyl)cyclohexane
CID 63861688
1-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexane
CID 112591275
4-chloro-1-[(2-chlorocyclohexyl)methyl]-2-fluorobenzene
CID 114857906

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane?
The IUPAC name of 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane (CID 163368222) is 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane.
What is the SMILES notation for 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane?
The canonical SMILES for 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane is ClC1CCCCC1CC1(C2(Cl)CC2)CCO1.
What is the InChIKey of 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane?
The InChIKey is ZEHRWEQTQWJHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2O/c14-11-4-2-1-3-10(11)9-13(7-8-16-13)12(15)5-6-12/h10-11H,1-9H2.
What are the key properties of 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane?
2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane has a molecular weight of 263.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorocyclohexyl)methyl]-2-(1-chlorocyclopropyl)oxetane is sourced from PubChem (CID 163368222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).