1-(3-bromopropyl)-3-ethylcyclopentane

C10H19Br — CID 142767375

IUPAC1-(3-bromopropyl)-3-ethylcyclopentane
SMILESCCC1CCC(CCCBr)C1
InChIInChI=1S/C10H19Br/c1-2-9-5-6-10(8-9)4-3-7-11/h9-10H,2-8H2,1H3
InChIKeyQURQLWRKCYMNKQ-UHFFFAOYSA-N
MW219.17 g/mol
LogP3.99
Rot. Bonds4

About 1-(3-bromopropyl)-3-ethylcyclopentane

1-(3-bromopropyl)-3-ethylcyclopentane (PubChem CID 142767375) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-(3-bromopropyl)-3-ethylcyclopentane.

Molecular Properties

Compound Name1-(3-bromopropyl)-3-ethylcyclopentane
PubChem CID142767375
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name1-(3-bromopropyl)-3-ethylcyclopentane
SMILESCCC1CCC(CCCBr)C1
InChIInChI=1S/C10H19Br/c1-2-9-5-6-10(8-9)4-3-7-11/h9-10H,2-8H2,1H3
InChIKeyQURQLWRKCYMNKQ-UHFFFAOYSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-diethylcyclopentane
CID 530396
5-(3-ethylcyclopentyl)-N-methylpentan-2-amine
CID 166803719
3-[3-(3-ethylcyclopentyl)cyclopentyl]propan-1-ol
CID 142767370
ethane;ethylcyclopropane
CID 91380076
1-ethyl-3-propylcyclohexane
CID 22129036
sodium 3-(3-ethylcyclopentyl)propyl sulfate
CID 142767346
[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
CID 161132665
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
1-(3-ethylcyclopentyl)pentan-3-one
CID 122412950
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
1-bromo-3-butylcyclopentane
CID 64508261

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropyl)-3-ethylcyclopentane?
The IUPAC name of 1-(3-bromopropyl)-3-ethylcyclopentane (CID 142767375) is 1-(3-bromopropyl)-3-ethylcyclopentane.
What is the SMILES notation for 1-(3-bromopropyl)-3-ethylcyclopentane?
The canonical SMILES for 1-(3-bromopropyl)-3-ethylcyclopentane is CCC1CCC(CCCBr)C1.
What is the InChIKey of 1-(3-bromopropyl)-3-ethylcyclopentane?
The InChIKey is QURQLWRKCYMNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c1-2-9-5-6-10(8-9)4-3-7-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-(3-bromopropyl)-3-ethylcyclopentane?
1-(3-bromopropyl)-3-ethylcyclopentane has a molecular weight of 219.17 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-3-ethylcyclopentane is sourced from PubChem (CID 142767375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).