1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane

C11H21BrO2 — CID 165487792

IUPAC1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane
SMILESCOC(COC1CCCC1Br)C(C)C
InChIInChI=1S/C11H21BrO2/c1-8(2)11(13-3)7-14-10-6-4-5-9(10)12/h8-11H,4-7H2,1-3H3
InChIKeyOVAQLJAJVNYNQO-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.99
Rot. Bonds5

About 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane

1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane (PubChem CID 165487792) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane.

Molecular Properties

Compound Name1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane
PubChem CID165487792
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane
SMILESCOC(COC1CCCC1Br)C(C)C
InChIInChI=1S/C11H21BrO2/c1-8(2)11(13-3)7-14-10-6-4-5-9(10)12/h8-11H,4-7H2,1-3H3
InChIKeyOVAQLJAJVNYNQO-UHFFFAOYSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 62111426
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CID 62109918
1-bromo-2-(3-methylbutoxy)cyclooctane
CID 114772941
1-(2-bromocyclopentyl)oxy-N-methylmethanamine
CID 171766461
1-bromo-2-(2-propan-2-yloxyethoxy)cyclohexane
CID 62109249
1-bromo-2-pentan-2-yloxycyclopentane
CID 102984522
1-bromo-2-pentan-3-yloxycyclopentane
CID 165489513
(2-bromocyclopentyl)oxymethylcyclohexane
CID 62384212
1-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cycloheptane
CID 104565568
1-bromo-2-(1-cyclobutylethoxy)cycloheptane
CID 165489893
(1S,2S,6S)-2-bromo-6-methoxycyclohexan-1-ol
CID 130865880

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane?
The IUPAC name of 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane (CID 165487792) is 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane.
What is the SMILES notation for 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane?
The canonical SMILES for 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane is COC(COC1CCCC1Br)C(C)C.
What is the InChIKey of 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane?
The InChIKey is OVAQLJAJVNYNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-8(2)11(13-3)7-14-10-6-4-5-9(10)12/h8-11H,4-7H2,1-3H3.
What are the key properties of 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane?
1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane has a molecular weight of 265.19 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-methoxy-3-methylbutoxy)cyclopentane is sourced from PubChem (CID 165487792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).