1-bromo-1-propylcyclohexane

C9H17Br — CID 23364805

IUPAC1-bromo-1-propylcyclohexane
SMILESCCCC1(Br)CCCCC1
InChIInChI=1S/C9H17Br/c1-2-6-9(10)7-4-3-5-8-9/h2-8H2,1H3
InChIKeyZHCCJGKSDXGILF-UHFFFAOYSA-N
MW205.14 g/mol
LogP3.88
Rot. Bonds2

About 1-bromo-1-propylcyclohexane

1-bromo-1-propylcyclohexane (PubChem CID 23364805) has the molecular formula C9H17Br and a molecular weight of 205.14 g/mol. Its IUPAC name is 1-bromo-1-propylcyclohexane.

Molecular Properties

Compound Name1-bromo-1-propylcyclohexane
PubChem CID23364805
Molecular FormulaC9H17Br
Molecular Weight205.14 g/mol
Exact Mass204.05
IUPAC Name1-bromo-1-propylcyclohexane
SMILESCCCC1(Br)CCCCC1
InChIInChI=1S/C9H17Br/c1-2-6-9(10)7-4-3-5-8-9/h2-8H2,1H3
InChIKeyZHCCJGKSDXGILF-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-1-propylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-bromocyclohexyl)methanol
CID 86185872
(1-bromocycloheptyl)methanol
CID 134992800
1-bromo-1-(methoxymethyl)cyclohexane
CID 12542396
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
1-(3-bromopropyl)-1-propylcyclohexane
CID 150638484
1,8-dipropyl-9-azabicyclo[6.1.1]decane
CID 166701851
1-tert-butyl-1-propylcyclohexane
CID 173344260
1-ethoxy-1-propylcyclohexane
CID 154221474
N-ethyl-1-propylcyclohexan-1-amine
CID 581031
azane;1-propylcyclopentan-1-amine
CID 118268242
1-butyl-1-(1-butylcyclohexyl)cyclohexane
CID 173069670
1-propylcyclooctane-1-carboxylic acid
CID 80611944

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-propylcyclohexane?
The IUPAC name of 1-bromo-1-propylcyclohexane (CID 23364805) is 1-bromo-1-propylcyclohexane.
What is the SMILES notation for 1-bromo-1-propylcyclohexane?
The canonical SMILES for 1-bromo-1-propylcyclohexane is CCCC1(Br)CCCCC1.
What is the InChIKey of 1-bromo-1-propylcyclohexane?
The InChIKey is ZHCCJGKSDXGILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Br/c1-2-6-9(10)7-4-3-5-8-9/h2-8H2,1H3.
What are the key properties of 1-bromo-1-propylcyclohexane?
1-bromo-1-propylcyclohexane has a molecular weight of 205.14 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-propylcyclohexane is sourced from PubChem (CID 23364805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).