1-bromo-2-pentan-2-yloxycyclopentane

C10H19BrO — CID 102984522

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

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

1-bromo-2-pentan-2-yloxycyclopentane (PubChem CID 102984522) has the molecular formula C10H19BrO and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-bromo-2-pentan-2-yloxycyclopentane.

Molecular Properties

Compound Name1-bromo-2-pentan-2-yloxycyclopentane
PubChem CID102984522
Molecular FormulaC10H19BrO
Molecular Weight235.16 g/mol
Exact Mass234.06
IUPAC Name1-bromo-2-pentan-2-yloxycyclopentane
SMILESCCCC(C)OC1CCCC1Br
InChIInChI=1S/C10H19BrO/c1-3-5-8(2)12-10-7-4-6-9(10)11/h8-10H,3-7H2,1-2H3
InChIKeyHVVUHQANOBRBBV-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'}

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Related Compounds

1-bromo-2-pentan-3-yloxycyclopentane
CID 165489513
1-bromo-2-(1-ethoxypropan-2-yloxy)cycloheptane
CID 103490059
1-bromo-2-(2-methylpentoxy)cyclohexane
CID 103285067
1-bromo-2-(1-cyclobutylethoxy)cycloheptane
CID 165489893
1,2-di(heptan-2-yloxy)cyclohexane
CID 91603551
1-bromo-2-(1-cyclopropylethoxy)cycloheptane
CID 165489835
1-bromo-2-(4-methylpentoxy)cyclopentane
CID 62109918
1-bromo-2-(2-methylpropoxy)cyclohexane
CID 62111426
1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
1-butan-2-yl-3-pentan-2-yloxycyclohexane
CID 123995677
2-methoxy-3-pentan-2-yloxycyclobutan-1-ol
CID 102988631
1-bromo-2-pentan-2-ylcycloheptane
CID 107886723

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-pentan-2-yloxycyclopentane?
The IUPAC name of 1-bromo-2-pentan-2-yloxycyclopentane (CID 102984522) is 1-bromo-2-pentan-2-yloxycyclopentane.
What is the SMILES notation for 1-bromo-2-pentan-2-yloxycyclopentane?
The canonical SMILES for 1-bromo-2-pentan-2-yloxycyclopentane is CCCC(C)OC1CCCC1Br.
What is the InChIKey of 1-bromo-2-pentan-2-yloxycyclopentane?
The InChIKey is HVVUHQANOBRBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrO/c1-3-5-8(2)12-10-7-4-6-9(10)11/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-bromo-2-pentan-2-yloxycyclopentane?
1-bromo-2-pentan-2-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-2-yloxycyclopentane is sourced from PubChem (CID 102984522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).