1-(3-bromopropyl)-1-propylcyclohexane

C12H23Br — CID 150638484

IUPAC1-(3-bromopropyl)-1-propylcyclohexane
SMILESCCCC1(CCCBr)CCCCC1
InChIInChI=1S/C12H23Br/c1-2-7-12(10-6-11-13)8-4-3-5-9-12/h2-11H2,1H3
InChIKeyIZJVHRNYJQHXCT-UHFFFAOYSA-N
MW247.22 g/mol
LogP4.91
Rot. Bonds5

About 1-(3-bromopropyl)-1-propylcyclohexane

1-(3-bromopropyl)-1-propylcyclohexane (PubChem CID 150638484) has the molecular formula C12H23Br and a molecular weight of 247.22 g/mol. Its IUPAC name is 1-(3-bromopropyl)-1-propylcyclohexane.

Molecular Properties

Compound Name1-(3-bromopropyl)-1-propylcyclohexane
PubChem CID150638484
Molecular FormulaC12H23Br
Molecular Weight247.22 g/mol
Exact Mass246.10
IUPAC Name1-(3-bromopropyl)-1-propylcyclohexane
SMILESCCCC1(CCCBr)CCCCC1
InChIInChI=1S/C12H23Br/c1-2-7-12(10-6-11-13)8-4-3-5-9-12/h2-11H2,1H3
InChIKeyIZJVHRNYJQHXCT-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(3-bromopropyl)-1-propylcyclohexane?
The IUPAC name of 1-(3-bromopropyl)-1-propylcyclohexane (CID 150638484) is 1-(3-bromopropyl)-1-propylcyclohexane.
What is the SMILES notation for 1-(3-bromopropyl)-1-propylcyclohexane?
The canonical SMILES for 1-(3-bromopropyl)-1-propylcyclohexane is CCCC1(CCCBr)CCCCC1.
What is the InChIKey of 1-(3-bromopropyl)-1-propylcyclohexane?
The InChIKey is IZJVHRNYJQHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23Br/c1-2-7-12(10-6-11-13)8-4-3-5-9-12/h2-11H2,1H3.
What are the key properties of 1-(3-bromopropyl)-1-propylcyclohexane?
1-(3-bromopropyl)-1-propylcyclohexane has a molecular weight of 247.22 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-1-propylcyclohexane is sourced from PubChem (CID 150638484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).