1-bromohexylcyclopropane

C9H17Br — CID 63358128

IUPAC1-bromohexylcyclopropane
SMILESCCCCCC(Br)C1CC1
InChIInChI=1S/C9H17Br/c1-2-3-4-5-9(10)8-6-7-8/h8-9H,2-7H2,1H3
InChIKeyVXBZBFPNAOCQBY-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.74
Rot. Bonds5

About 1-bromohexylcyclopropane

1-bromohexylcyclopropane (PubChem CID 63358128) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-bromohexylcyclopropane.

Molecular Properties

Compound Name1-bromohexylcyclopropane
PubChem CID63358128
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name1-bromohexylcyclopropane
SMILESCCCCCC(Br)C1CC1
InChIInChI=1S/C9H17Br/c1-2-3-4-5-9(10)8-6-7-8/h8-9H,2-7H2,1H3
InChIKeyVXBZBFPNAOCQBY-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.14
LogP ≤ 53.74
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 1-bromohexylcyclopropane?
The IUPAC name of 1-bromohexylcyclopropane (CID 63358128) is 1-bromohexylcyclopropane.
What is the SMILES notation for 1-bromohexylcyclopropane?
The canonical SMILES for 1-bromohexylcyclopropane is CCCCCC(Br)C1CC1.
What is the InChIKey of 1-bromohexylcyclopropane?
The InChIKey is VXBZBFPNAOCQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-2-3-4-5-9(10)8-6-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-bromohexylcyclopropane?
1-bromohexylcyclopropane has a molecular weight of 205.14 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromohexylcyclopropane is sourced from PubChem (CID 63358128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).