7-bromoheptylcyclopropane

C10H19Br — CID 154288528

IUPAC7-bromoheptylcyclopropane
SMILESBrCCCCCCCC1CC1
InChIInChI=1S/C10H19Br/c11-9-5-3-1-2-4-6-10-7-8-10/h10H,1-9H2
InChIKeyMIGNBLBJMHJREG-UHFFFAOYSA-N
MW219.17 g/mol
LogP4.13
Rot. Bonds7

About 7-bromoheptylcyclopropane

7-bromoheptylcyclopropane (PubChem CID 154288528) has the molecular formula C10H19Br and a molecular weight of 219.17 g/mol. Its IUPAC name is 7-bromoheptylcyclopropane.

Molecular Properties

Compound Name7-bromoheptylcyclopropane
PubChem CID154288528
Molecular FormulaC10H19Br
Molecular Weight219.17 g/mol
Exact Mass218.07
IUPAC Name7-bromoheptylcyclopropane
SMILESBrCCCCCCCC1CC1
InChIInChI=1S/C10H19Br/c11-9-5-3-1-2-4-6-10-7-8-10/h10H,1-9H2
InChIKeyMIGNBLBJMHJREG-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-bromoheptylcyclopropane?
The IUPAC name of 7-bromoheptylcyclopropane (CID 154288528) is 7-bromoheptylcyclopropane.
What is the SMILES notation for 7-bromoheptylcyclopropane?
The canonical SMILES for 7-bromoheptylcyclopropane is BrCCCCCCCC1CC1.
What is the InChIKey of 7-bromoheptylcyclopropane?
The InChIKey is MIGNBLBJMHJREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19Br/c11-9-5-3-1-2-4-6-10-7-8-10/h10H,1-9H2.
What are the key properties of 7-bromoheptylcyclopropane?
7-bromoheptylcyclopropane has a molecular weight of 219.17 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromoheptylcyclopropane is sourced from PubChem (CID 154288528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).