1-bromo-1-(1-bromocyclopentyl)cycloheptane

C12H20Br2 — CID 10087590

IUPAC1-bromo-1-(1-bromocyclopentyl)cycloheptane
SMILESBrC1(C2(Br)CCCC2)CCCCCC1
InChIInChI=1S/C12H20Br2/c13-11(7-3-1-2-4-8-11)12(14)9-5-6-10-12/h1-10H2
InChIKeyOBXRHEPOYFBMDV-UHFFFAOYSA-N
MW324.10 g/mol
LogP5.18
Rot. Bonds1

About 1-bromo-1-(1-bromocyclopentyl)cycloheptane

1-bromo-1-(1-bromocyclopentyl)cycloheptane (PubChem CID 10087590) has the molecular formula C12H20Br2 and a molecular weight of 324.10 g/mol. Its IUPAC name is 1-bromo-1-(1-bromocyclopentyl)cycloheptane.

Molecular Properties

Compound Name1-bromo-1-(1-bromocyclopentyl)cycloheptane
PubChem CID10087590
Molecular FormulaC12H20Br2
Molecular Weight324.10 g/mol
Exact Mass321.99
IUPAC Name1-bromo-1-(1-bromocyclopentyl)cycloheptane
SMILESBrC1(C2(Br)CCCC2)CCCCCC1
InChIInChI=1S/C12H20Br2/c13-11(7-3-1-2-4-8-11)12(14)9-5-6-10-12/h1-10H2
InChIKeyOBXRHEPOYFBMDV-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.10
LogP ≤ 55.18
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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(1-bromocyclopentyl)cycloheptane?
The IUPAC name of 1-bromo-1-(1-bromocyclopentyl)cycloheptane (CID 10087590) is 1-bromo-1-(1-bromocyclopentyl)cycloheptane.
What is the SMILES notation for 1-bromo-1-(1-bromocyclopentyl)cycloheptane?
The canonical SMILES for 1-bromo-1-(1-bromocyclopentyl)cycloheptane is BrC1(C2(Br)CCCC2)CCCCCC1.
What is the InChIKey of 1-bromo-1-(1-bromocyclopentyl)cycloheptane?
The InChIKey is OBXRHEPOYFBMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Br2/c13-11(7-3-1-2-4-8-11)12(14)9-5-6-10-12/h1-10H2.
What are the key properties of 1-bromo-1-(1-bromocyclopentyl)cycloheptane?
1-bromo-1-(1-bromocyclopentyl)cycloheptane has a molecular weight of 324.10 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(1-bromocyclopentyl)cycloheptane is sourced from PubChem (CID 10087590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).