1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane

C10H19BrO — CID 165442803

IUPAC1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane
SMILESCOCCCC1(CBr)CC(C)C1
InChIInChI=1S/C10H19BrO/c1-9-6-10(7-9,8-11)4-3-5-12-2/h9H,3-8H2,1-2H3
InChIKeyKXGDWXOJPBACEJ-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.22
Rot. Bonds5

About 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane

1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane (PubChem CID 165442803) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane
PubChem CID165442803
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane
SMILESCOCCCC1(CBr)CC(C)C1
InChIInChI=1S/C10H19BrO/c1-9-6-10(7-9,8-11)4-3-5-12-2/h9H,3-8H2,1-2H3
InChIKeyKXGDWXOJPBACEJ-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane 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

3-[1-(bromomethyl)-3-methylcyclobutyl]propoxymethylbenzene
CID 165445921
[1-[3-(2-methoxyethoxy)propyl]-3-methylcyclopentyl]methanamine
CID 103415092
1-(2-methoxyethyl)-1,3-dimethylcyclobutane
CID 162359702
1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
CID 103185009
1-(bromomethyl)-4-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexane
CID 103415388
N-[[1-(3-methoxypropyl)cyclobutyl]methyl]cyclopropanamine
CID 65194954
1-[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
CID 104649526
[1-(2-methoxyethoxymethyl)-3-methylcyclobutyl]methanamine
CID 119055116
N-[[1-(3-methoxypropyl)cyclopropyl]methyl]propan-2-amine
CID 66024015
1-(chloromethyl)-3-methyl-1-pentylcyclobutane
CID 165442795
2-methoxy-N-[[3-(4-methoxybutyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 104649530
7-(3-methoxypropyl)bicyclo[4.1.0]heptan-7-amine
CID 79331705

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane?
The IUPAC name of 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane (CID 165442803) is 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane.
What is the SMILES notation for 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane?
The canonical SMILES for 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane is COCCCC1(CBr)CC(C)C1.
What is the InChIKey of 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane?
The InChIKey is KXGDWXOJPBACEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-9-6-10(7-9,8-11)4-3-5-12-2/h9H,3-8H2,1-2H3.
What are the key properties of 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane?
1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane has a molecular weight of 235.16 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(3-methoxypropyl)-3-methylcyclobutane is sourced from PubChem (CID 165442803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).