1-(bromomethoxy)pentane

C6H13BrO — CID 14771606

IUPAC1-(bromomethoxy)pentane
SMILESCCCCCOCBr
InChIInChI=1S/C6H13BrO/c1-2-3-4-5-8-6-7/h2-6H2,1H3
InChIKeyPGOBMGIPBNSHKV-UHFFFAOYSA-N
MW181.07 g/mol
LogP2.55
Rot. Bonds5

About 1-(bromomethoxy)pentane

1-(bromomethoxy)pentane (PubChem CID 14771606) has the molecular formula C6H13BrO and a molecular weight of 181.07 g/mol. Its IUPAC name is 1-(bromomethoxy)pentane.

Molecular Properties

Compound Name1-(bromomethoxy)pentane
PubChem CID14771606
Molecular FormulaC6H13BrO
Molecular Weight181.07 g/mol
Exact Mass180.01
IUPAC Name1-(bromomethoxy)pentane
SMILESCCCCCOCBr
InChIInChI=1S/C6H13BrO/c1-2-3-4-5-8-6-7/h2-6H2,1H3
InChIKeyPGOBMGIPBNSHKV-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 52.55
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-(bromomethoxy)pentane 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

Ether, methyl pentyl
CID 69412
1-Bromo-5-methoxypentane
CID 542342
1-(Bromomethoxy)butane
CID 14710136
1-(Bromomethoxy)propane
CID 14771605
Pentane, 2-bromo-1-methoxy
CID 524020
1-Bromo-5-ethoxypentane
CID 10878050
1-(2-Bromoethoxy)pentane
CID 20508525
1-(Dibromomethoxy)hexane
CID 57170695
1-(Dibromomethoxy)butane
CID 57229794
1-(Dibromomethoxy)pentane
CID 57312809
CID 57466392
CID 57466392
CID 59514405
CID 59514405

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethoxy)pentane?
The IUPAC name of 1-(bromomethoxy)pentane (CID 14771606) is 1-(bromomethoxy)pentane.
What is the SMILES notation for 1-(bromomethoxy)pentane?
The canonical SMILES for 1-(bromomethoxy)pentane is CCCCCOCBr.
What is the InChIKey of 1-(bromomethoxy)pentane?
The InChIKey is PGOBMGIPBNSHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrO/c1-2-3-4-5-8-6-7/h2-6H2,1H3.
What are the key properties of 1-(bromomethoxy)pentane?
1-(bromomethoxy)pentane has a molecular weight of 181.07 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethoxy)pentane is sourced from PubChem (CID 14771606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).