1-bromo-2-pentan-3-yloxycyclopentane

C10H19BrO — CID 165489513

IUPAC1-bromo-2-pentan-3-yloxycyclopentane
SMILESCCC(CC)OC1CCCC1Br
InChIInChI=1S/C10H19BrO/c1-3-8(4-2)12-10-7-5-6-9(10)11/h8-10H,3-7H2,1-2H3
InChIKeyDGVMWLWQZIENRJ-UHFFFAOYSA-N
MW235.16 g/mol
LogP3.51
Rot. Bonds4

About 1-bromo-2-pentan-3-yloxycyclopentane

1-bromo-2-pentan-3-yloxycyclopentane (PubChem CID 165489513) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-bromo-2-pentan-3-yloxycyclopentane.

Molecular Properties

Compound Name1-bromo-2-pentan-3-yloxycyclopentane
PubChem CID165489513
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name1-bromo-2-pentan-3-yloxycyclopentane
SMILESCCC(CC)OC1CCCC1Br
InChIInChI=1S/C10H19BrO/c1-3-8(4-2)12-10-7-5-6-9(10)11/h8-10H,3-7H2,1-2H3
InChIKeyDGVMWLWQZIENRJ-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-2-pentan-3-yloxycyclopentane 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-bromo-2-pentan-2-yloxycyclopentane
CID 102984522
1-iodo-2-pentan-3-yloxycyclooctane
CID 165493288
1-bromo-2-(1-cyclobutylethoxy)cycloheptane
CID 165489893
1-bromo-2-(1-ethoxypropan-2-yloxy)cycloheptane
CID 103490059
1-bromo-2-(1-cyclopropylethoxy)cycloheptane
CID 165489835
1-bromo-2-(1-phenylethoxy)cycloheptane
CID 55193248
1-bromo-2-(2-ethylbutyl)cyclopentane
CID 82929575
1-bromo-2-(2-methylpropoxy)cyclohexane
CID 62111426
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
1-bromo-2-(4-methylpentoxy)cyclopentane
CID 62109918
1-(2-bromocyclopentyl)oxy-N-methylmethanamine
CID 171766461
[(1S,2S)-2-bromocyclopentyl]oxy-trimethylsilane
CID 11746651

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-pentan-3-yloxycyclopentane?
The IUPAC name of 1-bromo-2-pentan-3-yloxycyclopentane (CID 165489513) is 1-bromo-2-pentan-3-yloxycyclopentane.
What is the SMILES notation for 1-bromo-2-pentan-3-yloxycyclopentane?
The canonical SMILES for 1-bromo-2-pentan-3-yloxycyclopentane is CCC(CC)OC1CCCC1Br.
What is the InChIKey of 1-bromo-2-pentan-3-yloxycyclopentane?
The InChIKey is DGVMWLWQZIENRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-3-8(4-2)12-10-7-5-6-9(10)11/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-bromo-2-pentan-3-yloxycyclopentane?
1-bromo-2-pentan-3-yloxycyclopentane has a molecular weight of 235.16 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-pentan-3-yloxycyclopentane is sourced from PubChem (CID 165489513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).