1-(5-bromopentyl)-2-methylcyclopropane

C9H17Br — CID 155822181

IUPAC1-(5-bromopentyl)-2-methylcyclopropane
SMILESCC1CC1CCCCCBr
InChIInChI=1S/C9H17Br/c1-8-7-9(8)5-3-2-4-6-10/h8-9H,2-7H2,1H3
InChIKeyMGGZVDMSOHKZNA-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.60
Rot. Bonds5

About 1-(5-bromopentyl)-2-methylcyclopropane

1-(5-bromopentyl)-2-methylcyclopropane (PubChem CID 155822181) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-(5-bromopentyl)-2-methylcyclopropane.

Molecular Properties

Compound Name1-(5-bromopentyl)-2-methylcyclopropane
PubChem CID155822181
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name1-(5-bromopentyl)-2-methylcyclopropane
SMILESCC1CC1CCCCCBr
InChIInChI=1S/C9H17Br/c1-8-7-9(8)5-3-2-4-6-10/h8-9H,2-7H2,1H3
InChIKeyMGGZVDMSOHKZNA-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-(5-bromopentyl)-2-methylcyclopropane?
The IUPAC name of 1-(5-bromopentyl)-2-methylcyclopropane (CID 155822181) is 1-(5-bromopentyl)-2-methylcyclopropane.
What is the SMILES notation for 1-(5-bromopentyl)-2-methylcyclopropane?
The canonical SMILES for 1-(5-bromopentyl)-2-methylcyclopropane is CC1CC1CCCCCBr.
What is the InChIKey of 1-(5-bromopentyl)-2-methylcyclopropane?
The InChIKey is MGGZVDMSOHKZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-8-7-9(8)5-3-2-4-6-10/h8-9H,2-7H2,1H3.
What are the key properties of 1-(5-bromopentyl)-2-methylcyclopropane?
1-(5-bromopentyl)-2-methylcyclopropane has a molecular weight of 205.14 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopentyl)-2-methylcyclopropane is sourced from PubChem (CID 155822181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).