1-bromopropylcyclohexane

C9H17Br — CID 22015028

IUPAC1-bromopropylcyclohexane
SMILESCCC(Br)C1CCCCC1
InChIInChI=1S/C9H17Br/c1-2-9(10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyOJGPQTDRLMZKFW-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.74
Rot. Bonds2

About 1-bromopropylcyclohexane

1-bromopropylcyclohexane (PubChem CID 22015028) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-bromopropylcyclohexane.

Molecular Properties

Compound Name1-bromopropylcyclohexane
PubChem CID22015028
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name1-bromopropylcyclohexane
SMILESCCC(Br)C1CCCCC1
InChIInChI=1S/C9H17Br/c1-2-9(10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyOJGPQTDRLMZKFW-UHFFFAOYSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromopropylcyclohexane?
The IUPAC name of 1-bromopropylcyclohexane (CID 22015028) is 1-bromopropylcyclohexane.
What is the SMILES notation for 1-bromopropylcyclohexane?
The canonical SMILES for 1-bromopropylcyclohexane is CCC(Br)C1CCCCC1.
What is the InChIKey of 1-bromopropylcyclohexane?
The InChIKey is OJGPQTDRLMZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-2-9(10)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-bromopropylcyclohexane?
1-bromopropylcyclohexane has a molecular weight of 205.14 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopropylcyclohexane is sourced from PubChem (CID 22015028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).