1-bromo-4-hexyl(113C)cyclopentene

C11H19Br — CID 10537515

IUPAC1-bromo-4-hexyl(113C)cyclopentene
SMILESCCCCCCC1CC=[13C](Br)C1
InChIInChI=1S/C11H19Br/c1-2-3-4-5-6-10-7-8-11(12)9-10/h8,10H,2-7,9H2,1H3/i11+1
InChIKeyUTFOWYOSSXNOMA-KHWBWMQUSA-N
MW232.17 g/mol
LogP4.65
Rot. Bonds5

About 1-bromo-4-hexyl(113C)cyclopentene

1-bromo-4-hexyl(113C)cyclopentene (PubChem CID 10537515) has the molecular formula C11H19Br and a molecular weight of 232.17 g/mol. Its IUPAC name is 1-bromo-4-hexyl(113C)cyclopentene.

Molecular Properties

Compound Name1-bromo-4-hexyl(113C)cyclopentene
PubChem CID10537515
Molecular FormulaC11H19Br
Molecular Weight232.17 g/mol
Exact Mass231.07
IUPAC Name1-bromo-4-hexyl(113C)cyclopentene
SMILESCCCCCCC1CC=[13C](Br)C1
InChIInChI=1S/C11H19Br/c1-2-3-4-5-6-10-7-8-11(12)9-10/h8,10H,2-7,9H2,1H3/i11+1
InChIKeyUTFOWYOSSXNOMA-KHWBWMQUSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
4-undecylcyclopentane-1,2-dione
CID 54303237
5-butyl-2-methylcyclohex-2-en-1-one
CID 12827096
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
5,13-dibromo-9-tetradecyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-hexyl(113C)cyclopentene?
The IUPAC name of 1-bromo-4-hexyl(113C)cyclopentene (CID 10537515) is 1-bromo-4-hexyl(113C)cyclopentene.
What is the SMILES notation for 1-bromo-4-hexyl(113C)cyclopentene?
The canonical SMILES for 1-bromo-4-hexyl(113C)cyclopentene is CCCCCCC1CC=[13C](Br)C1.
What is the InChIKey of 1-bromo-4-hexyl(113C)cyclopentene?
The InChIKey is UTFOWYOSSXNOMA-KHWBWMQUSA-N. The full InChI is InChI=1S/C11H19Br/c1-2-3-4-5-6-10-7-8-11(12)9-10/h8,10H,2-7,9H2,1H3/i11+1.
What are the key properties of 1-bromo-4-hexyl(113C)cyclopentene?
1-bromo-4-hexyl(113C)cyclopentene has a molecular weight of 232.17 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-hexyl(113C)cyclopentene is sourced from PubChem (CID 10537515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).