1-(5-bromopentyl)-1-ethylcyclobutane

C11H21Br — CID 90128620

IUPAC1-(5-bromopentyl)-1-ethylcyclobutane
SMILESCCC1(CCCCCBr)CCC1
InChIInChI=1S/C11H21Br/c1-2-11(8-6-9-11)7-4-3-5-10-12/h2-10H2,1H3
InChIKeyZFGRUXCSKPJJOE-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.52
Rot. Bonds6

About 1-(5-bromopentyl)-1-ethylcyclobutane

1-(5-bromopentyl)-1-ethylcyclobutane (PubChem CID 90128620) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-(5-bromopentyl)-1-ethylcyclobutane.

Molecular Properties

Compound Name1-(5-bromopentyl)-1-ethylcyclobutane
PubChem CID90128620
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name1-(5-bromopentyl)-1-ethylcyclobutane
SMILESCCC1(CCCCCBr)CCC1
InChIInChI=1S/C11H21Br/c1-2-11(8-6-9-11)7-4-3-5-10-12/h2-10H2,1H3
InChIKeyZFGRUXCSKPJJOE-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

ethane;1-ethyl-1-hexylcyclopropane
CID 143025428
1-ethyl-1-propylcyclobutane
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1-(3-bromopropyl)-1-propylcyclohexane
CID 150638484
1-(9-bromononyl)-4,4-diethylpiperidine
CID 105343769
1,1-di(nonyl)cyclopentane
CID 154318487
1,1-dioctylcyclopentane
CID 54295272
1,1-dihexadecylcyclopentane
CID 141255150
1,1-diethylcyclohexane;ethane
CID 142116480
2-(9-bromononyl)-2-ethyl-1,3-dioxolane
CID 10852234
N-[(1-octylcyclobutyl)methyl]ethanamine
CID 65194537
ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine
CID 145022542
ethane;1-ethyl-1-(fluoromethyl)cyclohexane
CID 142943476

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopentyl)-1-ethylcyclobutane?
The IUPAC name of 1-(5-bromopentyl)-1-ethylcyclobutane (CID 90128620) is 1-(5-bromopentyl)-1-ethylcyclobutane.
What is the SMILES notation for 1-(5-bromopentyl)-1-ethylcyclobutane?
The canonical SMILES for 1-(5-bromopentyl)-1-ethylcyclobutane is CCC1(CCCCCBr)CCC1.
What is the InChIKey of 1-(5-bromopentyl)-1-ethylcyclobutane?
The InChIKey is ZFGRUXCSKPJJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-2-11(8-6-9-11)7-4-3-5-10-12/h2-10H2,1H3.
What are the key properties of 1-(5-bromopentyl)-1-ethylcyclobutane?
1-(5-bromopentyl)-1-ethylcyclobutane has a molecular weight of 233.19 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopentyl)-1-ethylcyclobutane is sourced from PubChem (CID 90128620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).