1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane

C12H23BrO — CID 66048902

IUPAC1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
SMILESCCCCOCCC1(CBr)CCCC1
InChIInChI=1S/C12H23BrO/c1-2-3-9-14-10-8-12(11-13)6-4-5-7-12/h2-11H2,1H3
InChIKeyMTMWVNGZVAYHLS-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.15
Rot. Bonds7

About 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane

1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane (PubChem CID 66048902) has the molecular formula C12H23BrO and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
PubChem CID66048902
Molecular FormulaC12H23BrO
Molecular Weight263.22 g/mol
Exact Mass262.09
IUPAC Name1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane
SMILESCCCCOCCC1(CBr)CCCC1
InChIInChI=1S/C12H23BrO/c1-2-3-9-14-10-8-12(11-13)6-4-5-7-12/h2-11H2,1H3
InChIKeyMTMWVNGZVAYHLS-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.15
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'}

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Related Compounds

1-(bromomethyl)-1-[2-(3-methoxypropoxy)ethyl]cyclobutane
CID 103185009
N-[[1-(2-butoxyethyl)cyclopentyl]methyl]propan-1-amine
CID 55106499
N-[[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclobutyl]methyl]ethanamine
CID 104566642
N-[[1-(2-butoxyethyl)cyclobutyl]methyl]propan-2-amine
CID 65194383
1-(bromomethyl)-1-(heptoxymethyl)cyclopropane
CID 65008372
1-(bromomethyl)-1-propylcyclobutane
CID 66050850
1-(chloromethyl)-1-(2-propoxyethyl)cyclopentane
CID 106459535
3-(2-butoxyethyl)-3-propylazetidine
CID 79452561
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
1-(bromomethyl)-4-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexane
CID 103415388
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]cyclohexane-1-carbonitrile
CID 104568465
[4-(2-butoxyethyl)oxan-4-yl]methanamine
CID 62906946

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane (CID 66048902) is 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane is CCCCOCCC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane?
The InChIKey is MTMWVNGZVAYHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrO/c1-2-3-9-14-10-8-12(11-13)6-4-5-7-12/h2-11H2,1H3.
What are the key properties of 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane?
1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane has a molecular weight of 263.22 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(2-butoxyethyl)cyclopentane is sourced from PubChem (CID 66048902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).