1-bromo-3-butylcyclopentane

C9H17Br — CID 64508261

IUPAC1-bromo-3-butylcyclopentane
SMILESCCCCC1CCC(Br)C1
InChIInChI=1S/C9H17Br/c1-2-3-4-8-5-6-9(10)7-8/h8-9H,2-7H2,1H3
InChIKeyJWKXLVSCSUIPLC-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.74
Rot. Bonds3

About 1-bromo-3-butylcyclopentane

1-bromo-3-butylcyclopentane (PubChem CID 64508261) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-bromo-3-butylcyclopentane.

Molecular Properties

Compound Name1-bromo-3-butylcyclopentane
PubChem CID64508261
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name1-bromo-3-butylcyclopentane
SMILESCCCCC1CCC(Br)C1
InChIInChI=1S/C9H17Br/c1-2-3-4-8-5-6-9(10)7-8/h8-9H,2-7H2,1H3
InChIKeyJWKXLVSCSUIPLC-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.74
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-bromo-3-heptylcyclopentane
CID 64509382
1-bromo-3-hexylcycloheptane
CID 64508523
1-bromo-4-hexylcyclohexane
CID 157160375
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
1-bromo-3-(2-propylsulfonylethyl)cyclopentane
CID 106732521
(6R,8aR)-2-butyl-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54310090
(2R,7R)-2,7-dibutyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 54101502
1-bromo-3-hept-6-enylcyclopentane
CID 107010537
(2S,4aR,8aR)-2-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 95479599
hexane;pentylcyclopropane
CID 159592467
1-bromo-3-(3-ethoxypropyl)cycloheptane
CID 65177683

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-butylcyclopentane?
The IUPAC name of 1-bromo-3-butylcyclopentane (CID 64508261) is 1-bromo-3-butylcyclopentane.
What is the SMILES notation for 1-bromo-3-butylcyclopentane?
The canonical SMILES for 1-bromo-3-butylcyclopentane is CCCCC1CCC(Br)C1.
What is the InChIKey of 1-bromo-3-butylcyclopentane?
The InChIKey is JWKXLVSCSUIPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-2-3-4-8-5-6-9(10)7-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-bromo-3-butylcyclopentane?
1-bromo-3-butylcyclopentane has a molecular weight of 205.14 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-butylcyclopentane is sourced from PubChem (CID 64508261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).