1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane

C14H27BrO4 — CID 104565568

IUPAC1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
SMILESCOCCOCCOCCOC1CCCCCC1Br
InChIInChI=1S/C14H27BrO4/c1-16-7-8-17-9-10-18-11-12-19-14-6-4-2-3-5-13(14)15/h13-14H,2-12H2,1H3
InChIKeyRLTKFCUXRNBRMS-UHFFFAOYSA-N
MW339.27 g/mol
LogP2.78
Rot. Bonds10

About 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane

1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane (PubChem CID 104565568) has the molecular formula C14H27BrO4 and a molecular weight of 339.27 g/mol. Its IUPAC name is 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane.

Molecular Properties

Compound Name1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
PubChem CID104565568
Molecular FormulaC14H27BrO4
Molecular Weight339.27 g/mol
Exact Mass338.11
IUPAC Name1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
SMILESCOCCOCCOCCOC1CCCCCC1Br
InChIInChI=1S/C14H27BrO4/c1-16-7-8-17-9-10-18-11-12-19-14-6-4-2-3-5-13(14)15/h13-14H,2-12H2,1H3
InChIKeyRLTKFCUXRNBRMS-UHFFFAOYSA-N
XLogP2.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-2-(2-propoxyethoxy)cyclooctane
CID 114774148
1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
1-bromo-2-(3,3-dimethylbutoxy)cycloheptane
CID 66227351
1-iodo-2-[2-(2-methoxyethoxy)ethoxy]cyclopentane
CID 114775120
2-methoxyethoxycyclohexane
CID 20550469
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine
CID 104560797
1-bromo-2-(2-methylpropoxy)cyclohexane
CID 62111426
2-(2-methoxyethoxy)cyclopentan-1-amine
CID 43184183
(2-bromocyclopentyl)oxymethylcyclohexane
CID 62384212
1-bromo-2-(4-methylpentoxy)cyclopentane
CID 62109918
cis-(1R,2S)-2-[2-[2-[(1R,2S)-2-hydroxycyclohexyl]oxyethoxy]ethoxy]cyclohexan-1-ol
CID 10891991

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane?
The IUPAC name of 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane (CID 104565568) is 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane.
What is the SMILES notation for 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane?
The canonical SMILES for 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane is COCCOCCOCCOC1CCCCCC1Br.
What is the InChIKey of 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane?
The InChIKey is RLTKFCUXRNBRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO4/c1-16-7-8-17-9-10-18-11-12-19-14-6-4-2-3-5-13(14)15/h13-14H,2-12H2,1H3.
What are the key properties of 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane?
1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane has a molecular weight of 339.27 g/mol, XLogP of 2.78, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane is sourced from PubChem (CID 104565568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).