1-bromo-2-(2-ethylbutyl)cyclopentane

C11H21Br — CID 82929575

IUPAC1-bromo-2-(2-ethylbutyl)cyclopentane
SMILESCCC(CC)CC1CCCC1Br
InChIInChI=1S/C11H21Br/c1-3-9(4-2)8-10-6-5-7-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyQGPAOUIFZYRCGD-UHFFFAOYSA-N
MW233.19 g/mol
LogP4.38
Rot. Bonds4

About 1-bromo-2-(2-ethylbutyl)cyclopentane

1-bromo-2-(2-ethylbutyl)cyclopentane (PubChem CID 82929575) has the molecular formula C11H21Br and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-bromo-2-(2-ethylbutyl)cyclopentane.

Molecular Properties

Compound Name1-bromo-2-(2-ethylbutyl)cyclopentane
PubChem CID82929575
Molecular FormulaC11H21Br
Molecular Weight233.19 g/mol
Exact Mass232.08
IUPAC Name1-bromo-2-(2-ethylbutyl)cyclopentane
SMILESCCC(CC)CC1CCCC1Br
InChIInChI=1S/C11H21Br/c1-3-9(4-2)8-10-6-5-7-11(10)12/h9-11H,3-8H2,1-2H3
InChIKeyQGPAOUIFZYRCGD-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 54.38
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

2-(2-ethylbutyl)cyclopentan-1-amine
CID 82929717
1-bromo-2-(2-ethylbutyl)-4-methylcyclohexane
CID 82930326
1-bromo-2-pentan-3-yloxycyclopentane
CID 165489513
2-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82930093
N-[[2-(2-ethylbutyl)cycloheptyl]methyl]cyclopropanamine
CID 82935825
1-bromo-4-ethyl-2-(2-ethylhexyl)cyclohexane
CID 63472984
1-bromo-2-(3-ethylsulfonylpropyl)cyclopentane
CID 65095933
2-(2-ethylhexyl)-N-methylcyclopentan-1-amine
CID 63400350
N-[(2-bromocyclohexyl)methyl]-2-ethylbutanamide
CID 114312233
2-(2-ethylbutyl)-6-methylpiperidine
CID 106781072
1-bromo-2-dodecylcycloheptane
CID 63471441
2-(2-ethylhexyl)cyclopentane-1-carboxylic acid
CID 81008544

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-ethylbutyl)cyclopentane?
The IUPAC name of 1-bromo-2-(2-ethylbutyl)cyclopentane (CID 82929575) is 1-bromo-2-(2-ethylbutyl)cyclopentane.
What is the SMILES notation for 1-bromo-2-(2-ethylbutyl)cyclopentane?
The canonical SMILES for 1-bromo-2-(2-ethylbutyl)cyclopentane is CCC(CC)CC1CCCC1Br.
What is the InChIKey of 1-bromo-2-(2-ethylbutyl)cyclopentane?
The InChIKey is QGPAOUIFZYRCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Br/c1-3-9(4-2)8-10-6-5-7-11(10)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-bromo-2-(2-ethylbutyl)cyclopentane?
1-bromo-2-(2-ethylbutyl)cyclopentane has a molecular weight of 233.19 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-ethylbutyl)cyclopentane is sourced from PubChem (CID 82929575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).