1-(1-bromoethyl)-3-ethylcyclopentane

C9H17Br — CID 66470468

IUPAC1-(1-bromoethyl)-3-ethylcyclopentane
SMILESCCC1CCC(C(C)Br)C1
InChIInChI=1S/C9H17Br/c1-3-8-4-5-9(6-8)7(2)10/h7-9H,3-6H2,1-2H3
InChIKeyOSTLRHHAGWPUFN-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.60
Rot. Bonds2

About 1-(1-bromoethyl)-3-ethylcyclopentane

1-(1-bromoethyl)-3-ethylcyclopentane (PubChem CID 66470468) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-(1-bromoethyl)-3-ethylcyclopentane.

Molecular Properties

Compound Name1-(1-bromoethyl)-3-ethylcyclopentane
PubChem CID66470468
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name1-(1-bromoethyl)-3-ethylcyclopentane
SMILESCCC1CCC(C(C)Br)C1
InChIInChI=1S/C9H17Br/c1-3-8-4-5-9(6-8)7(2)10/h7-9H,3-6H2,1-2H3
InChIKeyOSTLRHHAGWPUFN-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.60
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-ethylcyclopentyl)ethanamine
CID 65411210
1-(1-bromo-2-methylpropyl)-4-ethylcyclohexane
CID 79298120
cyclopropyl-(3-ethylcyclopentyl)methanol
CID 65411720
1-ethyl-3-(5-methylhexan-2-yl)cyclopentane
CID 123613674
1-(3-ethylcyclopentyl)propan-1-amine
CID 65410017
1-(1-bromo-2-methylpropyl)-4-ethylcycloheptane
CID 79298349
1,3-diethylcyclopentane
CID 530396
1-(3-ethylcyclopentyl)-2,2-dimethylpropan-1-amine
CID 65411012
cyclopentyl-(3-ethylcyclopentyl)methanol
CID 65410347
(3,5-dimethylcyclohexyl)-(3-ethylcyclopentyl)methanamine
CID 65411202
1-ethyl-3,5-di(propan-2-yl)cyclohexane
CID 90833557
1-(1,3-dibromopropyl)-4-ethylcyclohexane
CID 143189169

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethyl)-3-ethylcyclopentane?
The IUPAC name of 1-(1-bromoethyl)-3-ethylcyclopentane (CID 66470468) is 1-(1-bromoethyl)-3-ethylcyclopentane.
What is the SMILES notation for 1-(1-bromoethyl)-3-ethylcyclopentane?
The canonical SMILES for 1-(1-bromoethyl)-3-ethylcyclopentane is CCC1CCC(C(C)Br)C1.
What is the InChIKey of 1-(1-bromoethyl)-3-ethylcyclopentane?
The InChIKey is OSTLRHHAGWPUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-3-8-4-5-9(6-8)7(2)10/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(1-bromoethyl)-3-ethylcyclopentane?
1-(1-bromoethyl)-3-ethylcyclopentane has a molecular weight of 205.14 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-3-ethylcyclopentane is sourced from PubChem (CID 66470468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).