1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane

C11H21ClO2 — CID 104675868

IUPAC1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane
SMILESCCOC1C(Cl)CC1OC(C)C(C)C
InChIInChI=1S/C11H21ClO2/c1-5-13-11-9(12)6-10(11)14-8(4)7(2)3/h7-11H,5-6H2,1-4H3
InChIKeyYALXMYFRHCLKMK-UHFFFAOYSA-N
MW220.74 g/mol
LogP2.83
Rot. Bonds5

About 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane

1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane (PubChem CID 104675868) has the molecular formula C11H21ClO2 and a molecular weight of 220.74 g/mol. Its IUPAC name is 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane.

Molecular Properties

Compound Name1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane
PubChem CID104675868
Molecular FormulaC11H21ClO2
Molecular Weight220.74 g/mol
Exact Mass220.12
IUPAC Name1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane
SMILESCCOC1C(Cl)CC1OC(C)C(C)C
InChIInChI=1S/C11H21ClO2/c1-5-13-11-9(12)6-10(11)14-8(4)7(2)3/h7-11H,5-6H2,1-4H3
InChIKeyYALXMYFRHCLKMK-UHFFFAOYSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane
CID 104675598
1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane
CID 104675611
1-(3-chloro-2-ethoxycyclobutyl)oxy-2,3,4,5,6-pentafluorobenzene
CID 104675732
3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol
CID 107942618
(3-chloro-2-ethoxycyclobutyl)oxymethylcyclohexane
CID 104675791
4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane
CID 114342826
1-(3-chloro-2-propoxycyclobutyl)oxyethylbenzene
CID 114018902
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675688
1-bromo-4-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
CID 104675895
1-chloro-2-[(3-chloro-2-ethoxycyclobutyl)oxymethyl]benzene
CID 104675600
5-(3-chloro-2-ethoxycyclobutyl)oxy-1,2,3-trimethoxybenzene
CID 104675915
1-(3-chloro-2-ethoxycyclobutyl)oxy-4,5-difluoro-2-methylbenzene
CID 114276833

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane?
The IUPAC name of 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane (CID 104675868) is 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane.
What is the SMILES notation for 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane?
The canonical SMILES for 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane is CCOC1C(Cl)CC1OC(C)C(C)C.
What is the InChIKey of 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane?
The InChIKey is YALXMYFRHCLKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClO2/c1-5-13-11-9(12)6-10(11)14-8(4)7(2)3/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane?
1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane has a molecular weight of 220.74 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethoxy-3-(3-methylbutan-2-yloxy)cyclobutane is sourced from PubChem (CID 104675868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).