2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane

C13H25ClO3 — CID 103408040

IUPAC2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
SMILESCCC1(C)C(Cl)CC1OCCCOCCOC
InChIInChI=1S/C13H25ClO3/c1-4-13(2)11(14)10-12(13)17-7-5-6-16-9-8-15-3/h11-12H,4-10H2,1-3H3
InChIKeyCUMBZAYEVYTSOA-UHFFFAOYSA-N
MW264.79 g/mol
LogP2.85
Rot. Bonds9

About 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane

2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane (PubChem CID 103408040) has the molecular formula C13H25ClO3 and a molecular weight of 264.79 g/mol. Its IUPAC name is 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane.

Molecular Properties

Compound Name2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
PubChem CID103408040
Molecular FormulaC13H25ClO3
Molecular Weight264.79 g/mol
Exact Mass264.15
IUPAC Name2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane
SMILESCCC1(C)C(Cl)CC1OCCCOCCOC
InChIInChI=1S/C13H25ClO3/c1-4-13(2)11(14)10-12(13)17-7-5-6-16-9-8-15-3/h11-12H,4-10H2,1-3H3
InChIKeyCUMBZAYEVYTSOA-UHFFFAOYSA-N
XLogP2.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.79
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-3-[3-(2-methoxyethoxy)propoxy]cyclobutan-1-amine
CID 103408108
2-ethyl-3-[2-(2-methoxyethoxy)ethoxy]-N,2-dimethylcyclobutan-1-amine
CID 113427576
1-chloro-3-[3-(2-methoxyethoxy)propoxy]cyclobutane
CID 103408042
N-ethyl-3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethylcyclobutan-1-amine
CID 103408066
3-chloro-1-[2-(3-methoxypropoxy)ethoxy]spiro[3.6]decane
CID 103176169
3-(3-chloro-2-ethyl-2-methylcyclobutyl)oxypropylbenzene
CID 66344311
(3-chloro-2-ethyl-2-methylcyclobutyl)oxymethylcyclohexane
CID 66344748
3-[3-(2-methoxyethoxy)propoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 103408104
2-chloro-1-ethyl-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclobutane
CID 66343647
2-bromo-1,1-diethyl-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclobutane
CID 104567988
3-[3-(2-methoxyethoxy)propoxy]spiro[3.4]octan-1-amine
CID 103408106
3-[2-(3-methoxypropoxy)ethoxy]-2,2-dimethylcyclobutan-1-ol
CID 103176134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane?
The IUPAC name of 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane (CID 103408040) is 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane.
What is the SMILES notation for 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane?
The canonical SMILES for 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane is CCC1(C)C(Cl)CC1OCCCOCCOC.
What is the InChIKey of 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane?
The InChIKey is CUMBZAYEVYTSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO3/c1-4-13(2)11(14)10-12(13)17-7-5-6-16-9-8-15-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane?
2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane has a molecular weight of 264.79 g/mol, XLogP of 2.85, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-4-[3-(2-methoxyethoxy)propoxy]-1-methylcyclobutane is sourced from PubChem (CID 103408040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).