(1-bromocyclohexyl)-(1-bromocyclopentyl)methanone

C12H18Br2O — CID 134894688

IUPAC(1-bromocyclohexyl)-(1-bromocyclopentyl)methanone
SMILESO=C(C1(Br)CCCCC1)C1(Br)CCCC1
InChIInChI=1S/C12H18Br2O/c13-11(6-2-1-3-7-11)10(15)12(14)8-4-5-9-12/h1-9H2
InChIKeyKNJSOAXTSRXSGB-UHFFFAOYSA-N
MW338.08 g/mol
LogP4.36
Rot. Bonds2

About (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone

(1-bromocyclohexyl)-(1-bromocyclopentyl)methanone (PubChem CID 134894688) has the molecular formula C12H18Br2O and a molecular weight of 338.08 g/mol. Its IUPAC name is (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone.

Molecular Properties

Compound Name(1-bromocyclohexyl)-(1-bromocyclopentyl)methanone
PubChem CID134894688
Molecular FormulaC12H18Br2O
Molecular Weight338.08 g/mol
Exact Mass335.97
IUPAC Name(1-bromocyclohexyl)-(1-bromocyclopentyl)methanone
SMILESO=C(C1(Br)CCCCC1)C1(Br)CCCC1
InChIInChI=1S/C12H18Br2O/c13-11(6-2-1-3-7-11)10(15)12(14)8-4-5-9-12/h1-9H2
InChIKeyKNJSOAXTSRXSGB-UHFFFAOYSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone?
The IUPAC name of (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone (CID 134894688) is (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone.
What is the SMILES notation for (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone?
The canonical SMILES for (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone is O=C(C1(Br)CCCCC1)C1(Br)CCCC1.
What is the InChIKey of (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone?
The InChIKey is KNJSOAXTSRXSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Br2O/c13-11(6-2-1-3-7-11)10(15)12(14)8-4-5-9-12/h1-9H2.
What are the key properties of (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone?
(1-bromocyclohexyl)-(1-bromocyclopentyl)methanone has a molecular weight of 338.08 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromocyclohexyl)-(1-bromocyclopentyl)methanone is sourced from PubChem (CID 134894688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).