1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane

C11H21BrO2 — CID 106798673

IUPAC1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane
SMILESCOCCOCCCC1(C(C)Br)CC1
InChIInChI=1S/C11H21BrO2/c1-10(12)11(5-6-11)4-3-7-14-9-8-13-2/h10H,3-9H2,1-2H3
InChIKeyLJIGKMTVNHIQRY-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.99
Rot. Bonds8

About 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane

1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane (PubChem CID 106798673) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane.

Molecular Properties

Compound Name1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane
PubChem CID106798673
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane
SMILESCOCCOCCCC1(C(C)Br)CC1
InChIInChI=1S/C11H21BrO2/c1-10(12)11(5-6-11)4-3-7-14-9-8-13-2/h10H,3-9H2,1-2H3
InChIKeyLJIGKMTVNHIQRY-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-[1-[1-[3-(2-methoxyethoxy)propyl]cyclopropyl]ethyl]propan-1-amine
CID 106797997
1-[1-(3-methoxypropyl)cyclopropyl]ethanamine
CID 106797370
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1,8-bis(2-methoxyethoxy)octane
CID 143118909
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
3-bromo-N-[3-(2-methoxyethoxy)propyl]-N-methylbutan-1-amine
CID 103413177
1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
[2-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]methanol
CID 103415296

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane?
The IUPAC name of 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane (CID 106798673) is 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane.
What is the SMILES notation for 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane?
The canonical SMILES for 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane is COCCOCCCC1(C(C)Br)CC1.
What is the InChIKey of 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane?
The InChIKey is LJIGKMTVNHIQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-10(12)11(5-6-11)4-3-7-14-9-8-13-2/h10H,3-9H2,1-2H3.
What are the key properties of 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane?
1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane has a molecular weight of 265.19 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane is sourced from PubChem (CID 106798673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).