1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane

C10H19BrO3 — CID 104674096

IUPAC1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane
SMILESCCCOCCOC1CC(Br)C1OC
InChIInChI=1S/C10H19BrO3/c1-3-4-13-5-6-14-9-7-8(11)10(9)12-2/h8-10H,3-7H2,1-2H3
InChIKeyRUXAMGIEGJERNV-UHFFFAOYSA-N
MW267.16 g/mol
LogP1.98
Rot. Bonds7

About 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane

1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane (PubChem CID 104674096) has the molecular formula C10H19BrO3 and a molecular weight of 267.16 g/mol. Its IUPAC name is 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane.

Molecular Properties

Compound Name1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane
PubChem CID104674096
Molecular FormulaC10H19BrO3
Molecular Weight267.16 g/mol
Exact Mass266.05
IUPAC Name1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane
SMILESCCCOCCOC1CC(Br)C1OC
InChIInChI=1S/C10H19BrO3/c1-3-4-13-5-6-14-9-7-8(11)10(9)12-2/h8-10H,3-7H2,1-2H3
InChIKeyRUXAMGIEGJERNV-UHFFFAOYSA-N
XLogP1.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 51.98
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

1-bromo-3-(3,3-dimethylbutoxy)-2-methoxycyclobutane
CID 104674142
3-bromo-4-(2-propoxyethoxy)oxolane
CID 114774160
1-bromo-2-(2-propoxyethoxy)cyclooctane
CID 114774148
2-propoxy-3-(2-propoxyethoxy)cyclobutan-1-ol
CID 107942594
1-bromo-3-ethoxy-2-propoxycyclobutane
CID 107942786
1-bromo-3-(2-cyclopropylethoxy)-2-propoxycyclobutane
CID 106207232
1-chloro-2-methoxy-3-[2-(2-methoxyethoxy)ethoxy]cyclobutane
CID 104674207
1-(3-bromo-2-methoxycyclobutyl)oxy-2-propoxybenzene
CID 104673871
2-methoxy-3-[2-(3-methoxypropoxy)ethoxy]cyclobutan-1-ol
CID 103176139
1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
CID 104565568
2-(2-propoxyethoxy)cycloheptan-1-amine
CID 63685616
3-(2-butoxyethoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943466

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane?
The IUPAC name of 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane (CID 104674096) is 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane.
What is the SMILES notation for 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane?
The canonical SMILES for 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane is CCCOCCOC1CC(Br)C1OC.
What is the InChIKey of 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane?
The InChIKey is RUXAMGIEGJERNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO3/c1-3-4-13-5-6-14-9-7-8(11)10(9)12-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane?
1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane has a molecular weight of 267.16 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-3-(2-propoxyethoxy)cyclobutane is sourced from PubChem (CID 104674096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).