1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane

C11H19BrO — CID 130587220

IUPAC1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane
SMILESCOC1CCCC1C1(CBr)CCC1
InChIInChI=1S/C11H19BrO/c1-13-10-5-2-4-9(10)11(8-12)6-3-7-11/h9-10H,2-8H2,1H3
InChIKeyAOYNPCGLIMGUCL-UHFFFAOYSA-N
MW247.18 g/mol
LogP3.37
Rot. Bonds3

About 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane

1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane (PubChem CID 130587220) has the molecular formula C11H19BrO and a molecular weight of 247.18 g/mol. Its IUPAC name is 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane.

Molecular Properties

Compound Name1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane
PubChem CID130587220
Molecular FormulaC11H19BrO
Molecular Weight247.18 g/mol
Exact Mass246.06
IUPAC Name1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane
SMILESCOC1CCCC1C1(CBr)CCC1
InChIInChI=1S/C11H19BrO/c1-13-10-5-2-4-9(10)11(8-12)6-3-7-11/h9-10H,2-8H2,1H3
InChIKeyAOYNPCGLIMGUCL-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 53.37
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

4-fluoro-4-(2-methoxycyclopentyl)piperidine
CID 130587351
(1R,2R,6S)-7,7-dibromo-2-methoxybicyclo[4.1.0]heptane
CID 125035268
cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
9,9-bis(2-methoxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
CID 140500151
1-[1-(bromomethyl)cyclopropyl]-2-methylcyclohexane
CID 165443124
[(1S)-1-[(1S,2R)-2-methoxycyclohexyl]-3,3-dimethylcyclopentyl]methyl acetate
CID 11514700
ethane;1-methoxy-2-methylcyclopentane
CID 142110191
ethane;2-methoxycyclopentan-1-ol
CID 177178786
(2R)-2-(bromomethyl)-1-(2-methoxycyclopentyl)pyrrolidine
CID 164655945
trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
CID 129113118
(2-methoxycyclopentyl)methanamine
CID 43428752
tris(2,6-dimethoxycyclohexyl)phosphane
CID 44558720

Frequently Asked Questions

What is the IUPAC name of 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane?
The IUPAC name of 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane (CID 130587220) is 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane.
What is the SMILES notation for 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane?
The canonical SMILES for 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane is COC1CCCC1C1(CBr)CCC1.
What is the InChIKey of 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane?
The InChIKey is AOYNPCGLIMGUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrO/c1-13-10-5-2-4-9(10)11(8-12)6-3-7-11/h9-10H,2-8H2,1H3.
What are the key properties of 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane?
1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane has a molecular weight of 247.18 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(bromomethyl)cyclobutyl]-2-methoxycyclopentane is sourced from PubChem (CID 130587220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).