(3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane

C13H23ClO2 — CID 104675791

IUPAC(3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane
SMILESCCOC1C(Cl)CC1OCC1CCCCC1
InChIInChI=1S/C13H23ClO2/c1-2-15-13-11(14)8-12(13)16-9-10-6-4-3-5-7-10/h10-13H,2-9H2,1H3
InChIKeyPLSIQIYJEHFODI-UHFFFAOYSA-N
MW246.78 g/mol
LogP3.37
Rot. Bonds5

About (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane

(3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane (PubChem CID 104675791) has the molecular formula C13H23ClO2 and a molecular weight of 246.78 g/mol. Its IUPAC name is (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane.

Molecular Properties

Compound Name(3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane
PubChem CID104675791
Molecular FormulaC13H23ClO2
Molecular Weight246.78 g/mol
Exact Mass246.14
IUPAC Name(3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane
SMILESCCOC1C(Cl)CC1OCC1CCCCC1
InChIInChI=1S/C13H23ClO2/c1-2-15-13-11(14)8-12(13)16-9-10-6-4-3-5-7-10/h10-13H,2-9H2,1H3
InChIKeyPLSIQIYJEHFODI-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-(cyclopropylmethoxy)-2-propoxycyclobutane
CID 107942832
4-[(3-chloro-2-propoxycyclobutyl)oxymethyl]oxane
CID 107942979
1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane
CID 104675598
1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane
CID 104675611
3-(cyclohexylmethoxy)-2-ethoxycyclobutan-1-one
CID 104675203
3-(cyclohexylmethoxy)-2-methoxycyclobutan-1-amine
CID 104674815
2-(cyclohexylmethoxy)-4-ethylcyclohexan-1-ol
CID 62383405
4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane
CID 114342826
1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane
CID 104675868
1-(3-chloro-2-ethoxycyclobutyl)oxy-2,3,4,5,6-pentafluorobenzene
CID 104675732
ethoxymethylcyclooctane
CID 70370569
(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane
CID 66344748

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane?
The IUPAC name of (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane (CID 104675791) is (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane.
What is the SMILES notation for (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane?
The canonical SMILES for (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane is CCOC1C(Cl)CC1OCC1CCCCC1.
What is the InChIKey of (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane?
The InChIKey is PLSIQIYJEHFODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClO2/c1-2-15-13-11(14)8-12(13)16-9-10-6-4-3-5-7-10/h10-13H,2-9H2,1H3.
What are the key properties of (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane?
(3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane has a molecular weight of 246.78 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane is sourced from PubChem (CID 104675791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).