2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane

C12H21BrO — CID 130583351

IUPAC2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane
SMILESCC1(CBr)CCC(C)(C2CCCC2)O1
InChIInChI=1S/C12H21BrO/c1-11(9-13)7-8-12(2,14-11)10-5-3-4-6-10/h10H,3-9H2,1-2H3
InChIKeyWWBXBDKJZQMFEH-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.90
Rot. Bonds2

About 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane

2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane (PubChem CID 130583351) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane.

Molecular Properties

Compound Name2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane
PubChem CID130583351
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane
SMILESCC1(CBr)CCC(C)(C2CCCC2)O1
InChIInChI=1S/C12H21BrO/c1-11(9-13)7-8-12(2,14-11)10-5-3-4-6-10/h10H,3-9H2,1-2H3
InChIKeyWWBXBDKJZQMFEH-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.90
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

2-cyclopentyl-5-(iodomethyl)-2,5-dimethyloxolane
CID 130583379
(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
6-(bromomethyl)-2-cyclopropyl-2-methyloxane
CID 126983630
2-(bromomethyl)-7-ethyl-2-methyl-1,8-dioxaspiro[4.5]decane
CID 130583037
2-cyclobutyl-2-ethyl-5-(iodomethyl)-5-methyloxolane
CID 130688476
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
(3aS,9aS)-2-(bromomethyl)-2-methyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 10587607
7,7-bis(bromomethyl)-1-methylbicyclo[2.2.1]heptane
CID 174620142
(3aR,6aS)-3a-(bromomethyl)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan
CID 125455786

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane?
The IUPAC name of 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane (CID 130583351) is 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane.
What is the SMILES notation for 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane?
The canonical SMILES for 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane is CC1(CBr)CCC(C)(C2CCCC2)O1.
What is the InChIKey of 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane?
The InChIKey is WWBXBDKJZQMFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c1-11(9-13)7-8-12(2,14-11)10-5-3-4-6-10/h10H,3-9H2,1-2H3.
What are the key properties of 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane?
2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane has a molecular weight of 261.20 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-cyclopentyl-2,5-dimethyloxolane is sourced from PubChem (CID 130583351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).