3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane

C11H21BrO2 — CID 114535881

IUPAC3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane
SMILESCC(C)OCCC1(CBr)CCOC1C
InChIInChI=1S/C11H21BrO2/c1-9(2)13-6-4-11(8-12)5-7-14-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyFVCBXMFQMQDCOJ-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.99
Rot. Bonds5

About 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane

3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane (PubChem CID 114535881) has the molecular formula C11H21BrO2 and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane.

Molecular Properties

Compound Name3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane
PubChem CID114535881
Molecular FormulaC11H21BrO2
Molecular Weight265.19 g/mol
Exact Mass264.07
IUPAC Name3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane
SMILESCC(C)OCCC1(CBr)CCOC1C
InChIInChI=1S/C11H21BrO2/c1-9(2)13-6-4-11(8-12)5-7-14-10(11)3/h9-10H,4-8H2,1-3H3
InChIKeyFVCBXMFQMQDCOJ-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

3-(bromomethyl)-3-ethyl-2-methyloxolane
CID 114535961
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 106457308
3-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3-(chloromethyl)-2-methyloxolane
CID 114535773
3-(bromomethyl)-2-methyl-3-[(5-methyloxolan-2-yl)methyl]oxolane
CID 103142753
3-(bromomethyl)-2,3-dimethyloxolane
CID 114536016
[3-(hydroxymethyl)-2-methyloxolan-3-yl]methanol
CID 130490555
[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine
CID 114533972
[3-(3-methoxypropyl)-2-methyloxolan-3-yl]methanol
CID 114535558
5-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-1,3-thiazole
CID 114535901
2-methyl-N-[[2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-yl]methyl]propan-2-amine
CID 114535029
N-[[3-(ethoxymethyl)-2-methyloxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 114535154
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 103412751

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane?
The IUPAC name of 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane (CID 114535881) is 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane.
What is the SMILES notation for 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane?
The canonical SMILES for 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane is CC(C)OCCC1(CBr)CCOC1C.
What is the InChIKey of 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane?
The InChIKey is FVCBXMFQMQDCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrO2/c1-9(2)13-6-4-11(8-12)5-7-14-10(11)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane?
3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane 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 3-(bromomethyl)-2-methyl-3-(2-propan-2-yloxyethyl)oxolane is sourced from PubChem (CID 114535881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).